diff --git a/OUTCAR b/OUTCAR
new file mode 100644
index 0000000000000000000000000000000000000000..93de15e398fd77570711d3939ff0635d2f6505ea
--- /dev/null
+++ b/OUTCAR
@@ -0,0 +1,13218 @@
+ vasp.5.2.12 11Nov11 complex                                                    
+  
+ executed on             LinuxIFC date 2014.07.08  19:10:54
+ running on    8 nodes
+ distr:  one band on    8 nodes,    1 groups
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+ INCAR:
+ POTCAR:   PAW_PBE C 08Apr2002                    
+ POTCAR:   PAW_PBE O 08Apr2002                    
+ POTCAR:   PAW_PBE N 08Apr2002                    
+
+ ----------------------------------------------------------------------------- 
+|                                                                             |
+|           W    W    AA    RRRRR   N    N  II  N    N   GGGG   !!!           |
+|           W    W   A  A   R    R  NN   N  II  NN   N  G    G  !!!           |
+|           W    W  A    A  R    R  N N  N  II  N N  N  G       !!!           |
+|           W WW W  AAAAAA  RRRRR   N  N N  II  N  N N  G  GGG   !            |
+|           WW  WW  A    A  R   R   N   NN  II  N   NN  G    G                |
+|           W    W  A    A  R    R  N    N  II  N    N   GGGG   !!!           |
+|                                                                             |
+|      For optimal performance we recommend that you set                      |
+|        NPAR = approx SQRT( number of cores)                                 |
+|      This will greatly improve the performance of VASP for DFT.             |
+|      The default NPAR=number of cores might be grossly inefficient          |
+|      on modern multi-core architectures or massively parallel machines.     |
+|      Unfortunately you need to use the default for hybrid, GW and RPA       |
+|      calculations.                                                          |
+|                                                                             |
+ ----------------------------------------------------------------------------- 
+
+ POTCAR:   PAW_PBE C 08Apr2002                    
+   VRHFIN =C: s2p2                                                              
+   LEXCH  = PE                                                                  
+   EATOM  =   147.1560 eV,   10.8157 Ry                                         
+                                                                                
+   TITEL  = PAW_PBE C 08Apr2002                                                 
+   LULTRA =        F    use ultrasoft PP ?                                      
+   IUNSCR =        0    unscreen: 0-lin 1-nonlin 2-no                           
+   RPACOR =     .000    partial core radius                                     
+   POMASS =   12.011; ZVAL   =    4.000    mass and valenz                      
+   RCORE  =    1.500    outmost cutoff radius                                   
+   RWIGS  =    1.630; RWIGS  =     .863    wigner-seitz radius (au A)           
+   ENMAX  =  400.000; ENMIN  =  300.000 eV                                      
+   ICORE  =        2    local potential                                         
+   LCOR   =        T    correct aug charges                                     
+   LPAW   =        T    paw PP                                                  
+   EAUG   =  644.873                                                            
+   DEXC   =     .000                                                            
+   RMAX   =    2.266    core radius for proj-oper                               
+   RAUG   =    1.300    factor for augmentation sphere                          
+   RDEP   =    1.501    radius for radial grids                                 
+   RDEPT  =    1.300    core radius for aug-charge                              
+   QCUT   =   -5.516; QGAM   =   11.032    optimization parameters              
+                                                                                
+   Description                                                                  
+     l     E      TYP  RCUT    TYP  RCUT                                        
+     0   .000     23  1.200                                                     
+     0   .000     23  1.200                                                     
+     1   .000     23  1.500                                                     
+     1  2.500     23  1.500                                                     
+     2   .000      7  1.500                                                     
+  local pseudopotential read in
+  atomic valenz-charges read in
+  non local Contribution for L=           0  read in
+    real space projection operators read in
+  non local Contribution for L=           0  read in
+    real space projection operators read in
+  non local Contribution for L=           1  read in
+    real space projection operators read in
+  non local Contribution for L=           1  read in
+    real space projection operators read in
+    PAW grid and wavefunctions read in
+ 
+   number of l-projection  operators is LMAX  =           4
+   number of lm-projection operators is LMMAX =           8
+ 
+ POTCAR:   PAW_PBE O 08Apr2002                    
+   VRHFIN =O: s2p4                                                              
+   LEXCH  = PE                                                                  
+   EATOM  =   432.3788 eV,   31.7789 Ry                                         
+                                                                                
+   TITEL  = PAW_PBE O 08Apr2002                                                 
+   LULTRA =        F    use ultrasoft PP ?                                      
+   IUNSCR =        0    unscreen: 0-lin 1-nonlin 2-no                           
+   RPACOR =     .000    partial core radius                                     
+   POMASS =   16.000; ZVAL   =    6.000    mass and valenz                      
+   RCORE  =    1.520    outmost cutoff radius                                   
+   RWIGS  =    1.550; RWIGS  =     .820    wigner-seitz radius (au A)           
+   ENMAX  =  400.000; ENMIN  =  300.000 eV                                      
+   ICORE  =        2    local potential                                         
+   LCOR   =        T    correct aug charges                                     
+   LPAW   =        T    paw PP                                                  
+   EAUG   =  605.392                                                            
+   DEXC   =     .000                                                            
+   RMAX   =    2.264    core radius for proj-oper                               
+   RAUG   =    1.300    factor for augmentation sphere                          
+   RDEP   =    1.550    radius for radial grids                                 
+   QCUT   =   -5.520; QGAM   =   11.041    optimization parameters              
+                                                                                
+   Description                                                                  
+     l     E      TYP  RCUT    TYP  RCUT                                        
+     0   .000     23  1.200                                                     
+     0  -.700     23  1.200                                                     
+     1   .000     23  1.520                                                     
+     1   .600     23  1.520                                                     
+     2   .000      7  1.500                                                     
+  local pseudopotential read in
+  atomic valenz-charges read in
+  non local Contribution for L=           0  read in
+    real space projection operators read in
+  non local Contribution for L=           0  read in
+    real space projection operators read in
+  non local Contribution for L=           1  read in
+    real space projection operators read in
+  non local Contribution for L=           1  read in
+    real space projection operators read in
+    PAW grid and wavefunctions read in
+ 
+   number of l-projection  operators is LMAX  =           4
+   number of lm-projection operators is LMMAX =           8
+ 
+ POTCAR:   PAW_PBE N 08Apr2002                    
+   VRHFIN =N: s2p3                                                              
+   LEXCH  = PE                                                                  
+   EATOM  =   264.5486 eV,   19.4438 Ry                                         
+                                                                                
+   TITEL  = PAW_PBE N 08Apr2002                                                 
+   LULTRA =        F    use ultrasoft PP ?                                      
+   IUNSCR =        0    unscreen: 0-lin 1-nonlin 2-no                           
+   RPACOR =     .000    partial core radius                                     
+   POMASS =   14.001; ZVAL   =    5.000    mass and valenz                      
+   RCORE  =    1.500    outmost cutoff radius                                   
+   RWIGS  =    1.400; RWIGS  =     .741    wigner-seitz radius (au A)           
+   ENMAX  =  400.000; ENMIN  =  300.000 eV                                      
+   ICORE  =        2    local potential                                         
+   LCOR   =        T    correct aug charges                                     
+   LPAW   =        T    paw PP                                                  
+   EAUG   =  627.112                                                            
+   DEXC   =     .000                                                            
+   RMAX   =    2.247    core radius for proj-oper                               
+   RAUG   =    1.300    factor for augmentation sphere                          
+   RDEP   =    1.514    radius for radial grids                                 
+   QCUT   =   -5.562; QGAM   =   11.124    optimization parameters              
+                                                                                
+   Description                                                                  
+     l     E      TYP  RCUT    TYP  RCUT                                        
+     0   .000     23  1.200                                                     
+     0   .000     23  1.200                                                     
+     1   .000     23  1.500                                                     
+     1   .700     23  1.500                                                     
+     2   .000      7  1.500                                                     
+  local pseudopotential read in
+  atomic valenz-charges read in
+  non local Contribution for L=           0  read in
+    real space projection operators read in
+  non local Contribution for L=           0  read in
+    real space projection operators read in
+  non local Contribution for L=           1  read in
+    real space projection operators read in
+  non local Contribution for L=           1  read in
+    real space projection operators read in
+    PAW grid and wavefunctions read in
+ 
+   number of l-projection  operators is LMAX  =           4
+   number of lm-projection operators is LMMAX =           8
+ 
+ PAW_PBE C 08Apr2002                    :
+ energy of atom  1       EATOM= -147.1560
+ kinetic energy error for atom=    0.0288 (will be added to EATOM!!)
+ PAW_PBE O 08Apr2002                    :
+ energy of atom  2       EATOM= -432.3788
+ kinetic energy error for atom=    0.1156 (will be added to EATOM!!)
+ PAW_PBE N 08Apr2002                    :
+ energy of atom  3       EATOM= -264.5486
+ kinetic energy error for atom=    0.0736 (will be added to EATOM!!)
+ 
+ 
+ POSCAR: Generated by cif2cell 1.0.12. Rb2MnCl4 :
+  positions in direct lattice
+  velocities in cartesian coordinates
+ exchange correlation table for  LEXCH =        8
+   RHO(1)=    0.500       N(1)  =     2000
+   RHO(2)=  100.500       N(2)  =     4000
+ 
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+ ion  position               nearest neighbor table
+   1  0.000  0.000  0.000-
+   2  0.500  0.500  0.857-
+   3  0.500  0.500  0.143-
+   4  0.500  0.500  0.344-
+   5  0.500  0.500  0.656-
+   6  0.500  0.000  0.500-
+   7  0.000  0.500  0.500-
+ 
+  LATTYP: Found a simple tetragonal cell.
+ ALAT       =     4.7639268220
+ C/A-ratio  =     2.9389937424
+  
+  Lattice vectors:
+  
+ A1 = (   4.7639268220,   0.0000000000,   0.0000000000)
+ A2 = (   0.0000000000,   4.7639268220,   0.0000000000)
+ A3 = (   0.0000000000,   0.0000000000,  14.0011511193)
+ Subroutine PRICEL returns:
+ Original cell was already a primitive cell.
+ 
+
+Analysis of symmetry for initial positions (statically):
+
+ Routine SETGRP: Setting up the symmetry group for a 
+ simple tetragonal supercell.
+
+
+ Subroutine GETGRP returns: Found 16 space group operations
+ (whereof 16 operations were pure point group operations)
+ out of a pool of 16 trial point group operations.
+
+
+The static configuration has the point symmetry D_4h.
+
+Analysis of symmetry for dynamics (positions and initial velocities):
+
+ Subroutine DYNSYM returns: Found 16 space group operations
+ (whereof 16 operations were pure point group operations)
+ out of a pool of 16 trial space group operations
+ (whereof 16 operations were pure point group operations)
+ and found also     1 'primitive' translations
+
+
+The dynamic configuration has the point symmetry D_4h.
+
+Analysis of magnetic symmetry:
+
+ Subroutine MAGSYM returns: Found 16 space group operations
+ (whereof 16 operations were pure point group operations)
+ out of a pool of 16 trial space group operations
+ (whereof 16 operations were pure point group operations)
+ and found also     1 'primitive' translations
+
+
+The magnetic configuration has the point symmetry D_4h.
+ 
+ 
+ KPOINTS: Automatic mesh generated by run.sh      
+
+Automatic generation of k-mesh.
+ 
+ Subroutine IBZKPT returns following result:
+ ===========================================
+ 
+ Found      6 irreducible k-points:
+ 
+ Following reciprocal coordinates:
+            Coordinates               Weight
+  0.000000  0.000000  0.000000      1.000000
+  0.333333  0.000000  0.000000      4.000000
+  0.333333  0.333333  0.000000      4.000000
+  0.000000  0.000000  0.333333      2.000000
+  0.333333  0.000000  0.333333      8.000000
+  0.333333  0.333333  0.333333      8.000000
+ 
+ Following cartesian coordinates:
+            Coordinates               Weight
+  0.000000  0.000000  0.000000      1.000000
+  0.357571  0.000000  0.000000      4.000000
+  0.357571  0.357571  0.000000      4.000000
+  0.000000  0.000000  0.121664      2.000000
+  0.357571  0.000000  0.121664      8.000000
+  0.357571  0.357571  0.121664      8.000000
+ 
+ TETIRR: Found     34 inequivalent tetrahedra from      162
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+ Dimension of arrays:
+   k-points           NKPTS =      6   k-points in BZ     NKDIM =      6   number of bands    NBANDS=     42
+   number of dos      NEDOS =    301   number of ions     NIONS =      7
+   non local maximal  LDIM  =      4   non local SUM 2l+1 LMDIM =      8
+   total plane-waves  NPLWV =  40320
+   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=   1846
+   dimension x,y,z NGX =    24 NGY =   24 NGZ =   70
+   dimension x,y,z NGXF=    48 NGYF=   48 NGZF=  140
+   support grid    NGXF=    48 NGYF=   48 NGZF=  140
+   ions per type =               1   2   4
+ NGX,Y,Z   is equivalent  to a cutoff of   8.38,  8.38,  8.31 a.u.
+ NGXF,Y,Z  is equivalent  to a cutoff of  16.75, 16.75, 16.62 a.u.
+
+
+ I would recommend the setting:
+   dimension x,y,z NGX =    23 NGY =   23 NGZ =   68
+ SYSTEM =  unknown system                          
+ POSCAR =  Generated by cif2cell 1.0.12. Rb2MnCl4 :
+
+ Startparameter for this run:
+   NWRITE =      2    write-flag & timer
+   PREC   = normal    normal or accurate (medium, high low for compatibility)
+   ISTART =      0    job   : 0-new  1-cont  2-samecut
+   ICHARG =      2    charge: 1-file 2-atom 10-const
+   ISPIN  =      2    spin polarized calculation?
+   LNONCOLLINEAR =      F non collinear calculations
+   LSORBIT =      F    spin-orbit coupling
+   INIWAV =      1    electr: 0-lowe 1-rand  2-diag
+   LASPH  =      T    aspherical Exc in radial PAW
+   METAGGA=      F    non-selfconsistent MetaGGA calc.
+
+ Electronic Relaxation 1
+   ENCUT  =  400.0 eV  29.40 Ry    5.42 a.u.   7.77  7.77 22.83*2*pi/ulx,y,z
+   ENINI  =  400.0     initial cutoff
+   ENAUG  =  644.9 eV  augmentation charge cutoff
+   NELM   =     60;   NELMIN=  5; NELMDL= -5     # of ELM steps 
+   EDIFF  = 0.1E-01   stopping-criterion for ELM
+   LREAL  =      F    real-space projection
+   NLSPLINE    = F    spline interpolate recip. space projectors
+   LCOMPAT=      F    compatible to vasp.4.4
+   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
+   LMAXPAW     = -100 max onsite density
+   LMAXMIX     =    6 max onsite mixed and CHGCAR
+   VOSKOWN=      0    Vosko Wilk Nusair interpolation
+   ROPT   =    0.00000   0.00000   0.00000
+ Ionic relaxation
+   EDIFFG = -.3E+00   stopping-criterion for IOM
+   NSW    =     10    number of steps for IOM
+   NBLOCK =      1;   KBLOCK =     10    inner block; outer block 
+   IBRION =      2    ionic relax: 0-MD 1-quasi-New 2-CG
+   NFREE  =      1    steps in history (QN), initial steepest desc. (CG)
+   ISIF   =      3    stress and relaxation
+   IWAVPR =     11    prediction:  0-non 1-charg 2-wave 3-comb
+   ISYM   =      2    0-nonsym 1-usesym 2-fastsym
+   LCORR  =      T    Harris-Foulkes like correction to forces
+
+   POTIM  = 0.5000    time-step for ionic-motion
+   TEIN   =    0.0    initial temperature
+   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
+   SMASS  =  -3.00    Nose mass-parameter (am)
+   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps =****** mass=  -0.519E-27a.u.
+   SCALEE = 1.0000    scale energy and forces
+   NPACO  =    256;   APACO  = 16.0  distance and # of slots for P.C.
+   PSTRESS=    0.0 pullay stress
+
+  Mass of Ions in am
+   POMASS =  12.01 16.00 14.00
+  Ionic Valenz
+   ZVAL   =   4.00  6.00  5.00
+  Atomic Wigner-Seitz radii
+   RWIGS  =  -1.00 -1.00 -1.00
+  virtual crystal weights 
+   VCA    =   1.00  1.00  1.00
+   NELECT =      36.0000    total number of electrons
+   NUPDOWN=      -1.0000    fix difference up-down
+
+ DOS related values:
+   EMIN   =  10.00;   EMAX   =-10.00  energy-range for DOS
+   EFERMI =   0.00
+   ISMEAR =    -5;   SIGMA  =   0.20  broadening in eV -4-tet -1-fermi 0-gaus
+
+ Electronic relaxation 2 (details)
+   IALGO  =     38    algorithm
+   LDIAG  =      T    sub-space diagonalisation (order eigenvalues)
+   LSUBROT=      T    optimize rotation matrix (better conditioning)
+   TURBO    =      0    0=normal 1=particle mesh
+   IRESTART =      0    0=no restart 2=restart with 2 vectors
+   NREBOOT  =      0    no. of reboots
+   NMIN     =      0    reboot dimension
+   EREF     =   0.00    reference energy to select bands
+   IMIX   =      4    mixing-type and parameters
+     AMIX     =   0.40;   BMIX     =  1.00
+     AMIX_MAG =   1.60;   BMIX_MAG =  1.00
+     AMIN     =   0.10
+     WC   =   100.;   INIMIX=   1;  MIXPRE=   1
+
+ Intra band minimization:
+   WEIMIN = 0.0010     energy-eigenvalue tresh-hold
+   EBREAK =  0.60E-04  absolut break condition
+   DEPER  =   0.30     relativ break condition  
+
+   TIME   =   0.40     timestep for ELM
+
+  volume/ion in A,a.u.               =      45.39       306.33
+  Fermi-wavevector in a.u.,A,eV,Ry     =   0.792157  1.496959  8.537820  0.627512
+  Thomas-Fermi vector in A             =   1.897839
+ 
+ Write flags
+   LWAVE  =      F    write WAVECAR
+   LCHARG =      T    write CHGCAR
+   LVTOT  =      F    write LOCPOT, total local potential
+   LVHAR  =      F    write LOCPOT, Hartree potential only
+   LELF   =      F    write electronic localiz. function (ELF)
+   LORBIT =     11    0 simple, 1 ext, 2 COOP (PROOUT)
+
+
+ Dipole corrections
+   LMONO  =      F    monopole corrections only (constant potential shift)
+   LDIPOL =      F    correct potential (dipole corrections)
+   IDIPOL =      0    1-x, 2-y, 3-z, 4-all directions 
+   EPSILON=  1.0000000 bulk dielectric constant
+
+ Exchange correlation treatment:
+   GGA     =    --    GGA type
+   LEXCH   =     8    internal setting for exchange type
+   VOSKOWN=      0    Vosko Wilk Nusair interpolation
+   LHFCALC =     F    Hartree Fock is set to
+   LHFONE  =     F    Hartree Fock one center treatment
+   AEXX    =    0.0000 exact exchange contribution
+
+ Linear response parameters
+   LEPSILON=     F    determine dielectric tensor
+   LRPA    =     F    only Hartree local field effects (RPA)
+   LNABLA  =     F    use nabla operator in PAW spheres
+   LVEL    =     F    velocity operator in full k-point grid
+   LINTERFAST=   F  fast interpolation
+   KINTER  =     0    interpolate to denser k-point grid
+   CSHIFT  =0.1000    complex shift for real part using Kramers Kronig
+   OMEGAMAX=  -1.0    maximum frequency
+   RTIME   =    0.100 relaxation time in fs
+
+ Orbital magnetization related:
+   ORBITALMAG=     F  switch on orbital magnetization
+   LCHIMAG   =     F  perturbation theory with respect to B field
+   DQ        =  0.001000  dq finite difference perturbation B field
+
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+ conjugate gradient relaxation of ions
+ charge density and potential will be updated during run
+ spin polarized calculation
+ Variant of blocked Davidson
+ Davidson routine will perform the subspace rotation
+ perform sub-space diagonalisation
+    after iterative eigenvector-optimisation
+ modified Broyden-mixing scheme, WC =      100.0
+ initial mixing is a Kerker type mixing with AMIX =  0.4000 and BMIX =      1.0000
+ Hartree-type preconditioning will be used
+ using additional bands           24
+ reciprocal scheme for non local part
+ calculate Harris-corrections to forces 
+   (improved forces if not selfconsistent)
+ use gradient corrections 
+ use of overlap-Matrix (Vanderbilt PP)
+ Fermi weights with tetrahedron method with Bloechl corrections
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+  energy-cutoff  :      400.00
+  volume of cell :      317.76
+      direct lattice vectors                 reciprocal lattice vectors
+     4.763926822  0.000000000  0.000000000     0.209910865  0.000000000  0.000000000
+     0.000000000  4.763926822  0.000000000     0.000000000  0.209910865  0.000000000
+     0.000000000  0.000000000 14.001151119     0.000000000  0.000000000  0.071422699
+
+  length of vectors
+     4.763926822  4.763926822 14.001151119     0.209910865  0.209910865  0.071422699
+
+
+ 
+ k-points in units of 2pi/SCALE and weight: Automatic mesh generated by run.sh      
+   0.00000000  0.00000000  0.00000000       0.037
+   0.35757070  0.00000000  0.00000000       0.148
+   0.35757070  0.35757070  0.00000000       0.148
+   0.00000000  0.00000000  0.12166433       0.074
+   0.35757070  0.00000000  0.12166433       0.296
+   0.35757070  0.35757070  0.12166433       0.296
+ 
+ k-points in reciprocal lattice and weights: Automatic mesh generated by run.sh      
+   0.00000000  0.00000000  0.00000000       0.037
+   0.33333333  0.00000000  0.00000000       0.148
+   0.33333333  0.33333333  0.00000000       0.148
+   0.00000000  0.00000000  0.33333333       0.074
+   0.33333333  0.00000000  0.33333333       0.296
+   0.33333333  0.33333333  0.33333333       0.296
+ 
+ position of ions in fractional coordinates (direct lattice) 
+   0.00000000  0.00000000  0.00000000
+   0.50000000  0.50000000  0.85656212
+   0.50000000  0.50000000  0.14343788
+   0.50000000  0.50000000  0.34401963
+   0.50000000  0.50000000  0.65598037
+   0.50000000  0.00000000  0.50000000
+   0.00000000  0.50000000  0.50000000
+ 
+ position of ions in cartesian coordinates  (Angst):
+   0.00000000  0.00000000  0.00000000
+   2.38196341  2.38196341 11.99285565
+   2.38196341  2.38196341  2.00829547
+   2.38196341  2.38196341  4.81667078
+   2.38196341  2.38196341  9.18448034
+   2.38196341  0.00000000  7.00057556
+   0.00000000  2.38196341  7.00057556
+ 
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+ k-point  1 :  0.00000.00000.0000  plane waves:    5765
+ k-point  2 :  0.33330.00000.0000  plane waves:    5760
+ k-point  3 :  0.33330.33330.0000  plane waves:    5781
+ k-point  4 :  0.00000.00000.3333  plane waves:    5754
+ k-point  5 :  0.33330.00000.3333  plane waves:    5788
+ k-point  6 :  0.33330.33330.3333  plane waves:    5754
+
+ maximum and minimum number of plane-waves per node :       742      709
+
+ maximum number of plane-waves:      5788
+ maximum index in each direction: 
+   IXMAX=    7   IYMAX=    7   IZMAX=   22
+   IXMIN=   -8   IYMIN=   -8   IZMIN=  -23
+
+ WARNING: aliasing errors must be expected set NGX to  32 to avoid them
+ WARNING: aliasing errors must be expected set NGY to  32 to avoid them
+ WARNING: aliasing errors must be expected set NGZ to  92 to avoid them
+ aliasing errors are usually negligible using standard VASP settings
+ and one can safely disregard these warnings
+
+ parallel 3D FFT for wavefunctions:
+    minimum data exchange during FFTs selected (reduces bandwidth)
+ parallel 3D FFT for charge:
+    minimum data exchange during FFTs selected (reduces bandwidth)
+
+
+ total amount of memory used by VASP on root node    42326. kBytes
+========================================================================
+
+   base      :      30000. kBytes
+   nonl-proj :        913. kBytes
+   fftplans  :       1518. kBytes
+   grid      :       3995. kBytes
+   one-center:          6. kBytes
+   wavefun   :       5894. kBytes
+ 
+ Broyden mixing: mesh for mixing (old mesh)
+   NGX = 15   NGY = 15   NGZ = 45
+  (NGX  = 48   NGY  = 48   NGZ  =140)
+  gives a total of  10125 points
+
+ initial charge density was supplied:
+ charge density of overlapping atoms calculated
+ number of electron      36.0000000 magnetization      35.0000000
+ keeping initial charge density in first step
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+ Maximum index for augmentation-charges          169 (set IRDMAX)
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+ First call to EWALD:  gamma=   0.260
+ Maximum number of real-space cells 4x 4x 2
+ Maximum number of reciprocal cells 2x 2x 5
+
+    FEWALD:  cpu time    0.00: real time    0.00
+
+
+----------------------------------------- Iteration    1(   1)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.83: real time    2.83
+ BZINTS: Fermi energy:  4.339889; 36.000000 electrons
+         Band energy:***********;  BLOECHL correction: -0.521451
+       DOS:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.46: real time    3.49
+
+ eigenvalue-minimisations  :  1152
+ total energy-change (2. order) :-0.9226484E+03  (-0.1455190E+04)
+ number of electron      36.0000000 magnetization      35.0000000
+ augmentation part       36.0000000 magnetization      35.0000000
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -870.58823814
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       176.71161471
+  PAW double counting   =       946.26615424     -954.37054773
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =     -1338.25212219
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =      -922.64841163 eV
+
+  energy without entropy =     -922.64841163  energy(sigma->0) =     -922.64841163
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(   2)  ---------------------------------------
+
+
+     EDDAV:  cpu time    3.23: real time    3.23
+ BZINTS: Fermi energy: -4.850201; 36.000000 electrons
+         Band energy:***********;  BLOECHL correction: -0.069430
+       DOS:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.24: real time    3.36
+
+ eigenvalue-minimisations  :  1382
+ total energy-change (2. order) :-0.1312552E+04  (-0.1293705E+04)
+ number of electron      36.0000000 magnetization      35.0000000
+ augmentation part       36.0000000 magnetization      35.0000000
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -870.58823814
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       176.71161471
+  PAW double counting   =       946.26615424     -954.37054773
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =     -2650.80367561
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =     -2235.19996505 eV
+
+  energy without entropy =    -2235.19996505  energy(sigma->0) =    -2235.19996505
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(   3)  ---------------------------------------
+
+
+     EDDAV:  cpu time    3.13: real time    3.13
+ BZINTS: Fermi energy: -7.415067; 36.000000 electrons
+         Band energy:***********;  BLOECHL correction: -0.019662
+       DOS:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.14: real time    3.20
+
+ eigenvalue-minimisations  :  1328
+ total energy-change (2. order) :-0.4825438E+02  (-0.4700543E+02)
+ number of electron      36.0000000 magnetization      35.0000000
+ augmentation part       36.0000000 magnetization      35.0000000
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -870.58823814
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       176.71161471
+  PAW double counting   =       946.26615424     -954.37054773
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =     -2699.05805203
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =     -2283.45434147 eV
+
+  energy without entropy =    -2283.45434147  energy(sigma->0) =    -2283.45434147
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(   4)  ---------------------------------------
+
+
+     EDDAV:  cpu time    3.11: real time    3.11
+ BZINTS: Fermi energy: -7.447779; 36.000000 electrons
+         Band energy:***********;  BLOECHL correction: -0.024216
+       DOS:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.12: real time    3.19
+
+ eigenvalue-minimisations  :  1318
+ total energy-change (2. order) :-0.5273086E+00  (-0.5172764E+00)
+ number of electron      36.0000000 magnetization      35.0000000
+ augmentation part       36.0000000 magnetization      35.0000000
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -870.58823814
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       176.71161471
+  PAW double counting   =       946.26615424     -954.37054773
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =     -2699.58536068
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =     -2283.98165012 eV
+
+  energy without entropy =    -2283.98165012  energy(sigma->0) =    -2283.98165012
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(   5)  ---------------------------------------
+
+
+     EDDAV:  cpu time    3.06: real time    3.06
+ BZINTS: Fermi energy: -7.448053; 36.000000 electrons
+         Band energy:***********;  BLOECHL correction: -0.024163
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.18: real time    3.42
+
+ eigenvalue-minimisations  :  1294
+ total energy-change (2. order) :-0.8271972E-02  (-0.8358871E-02)
+ number of electron      36.0000078 magnetization      29.0408508
+ augmentation part        0.4557131 magnetization      19.5921207
+
+ Broyden mixing:
+  rms(total) = 0.10228E+02    rms(broyden)= 0.95712E+01
+  rms(prec ) = 0.10300E+02
+  weight for this iteration     100.00
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -870.58823814
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       176.71161471
+  PAW double counting   =       946.26615424     -954.37054773
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =     -2699.59363265
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =     -2283.98992209 eV
+
+  energy without entropy =    -2283.98992209  energy(sigma->0) =    -2283.98992209
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(   6)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    3.03: real time    3.03
+ BZINTS: Fermi energy: -0.370107; 36.000000 electrons
+         Band energy:-362.448026;  BLOECHL correction: -0.127465
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.76: real time    3.83
+
+ eigenvalue-minimisations  :  1266
+ total energy-change (2. order) : 0.2392708E+04  (-0.1133289E+04)
+ number of electron      36.0000325 magnetization      26.6850656
+ augmentation part        2.3048042 magnetization      17.2097811
+
+ Broyden mixing:
+  rms(total) = 0.10744E+02    rms(broyden)= 0.10347E+02
+  rms(prec ) = 0.11853E+02
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.4619
+  0.4619
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -972.78866086
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       343.88693171
+  PAW double counting   =      2301.71785936    -2319.23444972
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -362.44802557
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       108.71838240 eV
+
+  energy without entropy =      108.71838240  energy(sigma->0) =      108.71838240
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(   7)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.68: real time    2.68
+ BZINTS: Fermi energy: -2.562655; 36.000000 electrons
+         Band energy:-318.535191;  BLOECHL correction: -0.002503
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.42: real time    3.49
+
+ eigenvalue-minimisations  :  1088
+ total energy-change (2. order) :-0.1819603E+02  (-0.3160003E+02)
+ number of electron      36.0000243 magnetization      24.4524562
+ augmentation part        1.6447259 magnetization      17.2408945
+
+ Broyden mixing:
+  rms(total) = 0.47008E+01    rms(broyden)= 0.46639E+01
+  rms(prec ) = 0.60962E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.6587
+  0.6587  0.6587
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -940.09457887
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       239.20311078
+  PAW double counting   =      5055.55841913    -5063.19413915
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -318.53519067
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =        90.52234870 eV
+
+  energy without entropy =       90.52234870  energy(sigma->0) =       90.52234870
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(   8)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.89: real time    2.89
+ BZINTS: Fermi energy: -3.114132; 36.000000 electrons
+         Band energy:-314.337342;  BLOECHL correction:  0.000000
+       DOS:  cpu time    0.00: real time    0.00
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.62: real time    3.69
+
+ eigenvalue-minimisations  :  1202
+ total energy-change (2. order) : 0.5763847E+01  (-0.8822161E+01)
+ number of electron      36.0000178 magnetization      23.1103080
+ augmentation part        1.1514211 magnetization      10.9925559
+
+ Broyden mixing:
+  rms(total) = 0.38872E+01    rms(broyden)= 0.38741E+01
+  rms(prec ) = 0.46921E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.4965
+  0.6049  0.6049  0.2797
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -934.16605454
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       235.51240369
+  PAW double counting   =      3866.63140776    -3874.93894662
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -314.33734219
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =        96.28619557 eV
+
+  energy without entropy =       96.28619557  energy(sigma->0) =       96.28619557
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(   9)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.75: real time    2.76
+ BZINTS: Fermi energy: -2.701732; 36.000000 electrons
+         Band energy:-325.975263;  BLOECHL correction: -0.000505
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.49: real time    3.59
+
+ eigenvalue-minimisations  :  1124
+ total energy-change (2. order) :-0.2772273E+02  (-0.4530646E+01)
+ number of electron      36.0000150 magnetization      23.5122426
+ augmentation part        1.0656472 magnetization       6.0016532
+
+ Broyden mixing:
+  rms(total) = 0.29813E+01    rms(broyden)= 0.29760E+01
+  rms(prec ) = 0.30891E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.4660
+  0.6221  0.6221  0.3098  0.3098
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -923.91409113
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       209.20127240
+  PAW double counting   =      3430.74636548    -3439.07954072
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -325.97526338
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =        68.56347012 eV
+
+  energy without entropy =       68.56347012  energy(sigma->0) =       68.56347012
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(  10)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.81: real time    2.81
+ BZINTS: Fermi energy: -3.850199; 36.000000 electrons
+         Band energy:-343.759716;  BLOECHL correction: -0.011133
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.55: real time    3.63
+
+ eigenvalue-minimisations  :  1164
+ total energy-change (2. order) :-0.2131058E+02  (-0.3997716E+00)
+ number of electron      36.0000255 magnetization      23.0947408
+ augmentation part        1.6192853 magnetization      10.7521179
+
+ Broyden mixing:
+  rms(total) = 0.26592E+01    rms(broyden)= 0.26511E+01
+  rms(prec ) = 0.29130E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.3863
+  0.6318  0.6318  0.3029  0.3029  0.0620
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -910.84362434
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       192.52595115
+  PAW double counting   =      3193.78904423    -3202.04349000
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -343.75971555
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =        47.25289297 eV
+
+  energy without entropy =       47.25289297  energy(sigma->0) =       47.25289297
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(  11)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.17
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.65: real time    2.65
+ BZINTS: Fermi energy: -3.606995; 36.000000 electrons
+         Band energy:-343.487482;  BLOECHL correction: -0.000429
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.38: real time    3.47
+
+ eigenvalue-minimisations  :  1072
+ total energy-change (2. order) :-0.5337828E+01  (-0.1277838E+00)
+ number of electron      36.0000164 magnetization      22.6772008
+ augmentation part        1.1760348 magnetization       5.2327775
+
+ Broyden mixing:
+  rms(total) = 0.21095E+01    rms(broyden)= 0.21035E+01
+  rms(prec ) = 0.22246E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.5748
+  1.0348  1.0348  0.4440  0.4440  0.3709  0.1203
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -912.25617664
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       188.45832778
+  PAW double counting   =      2976.33780701    -2984.72213827
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -343.48748249
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =        41.91506487 eV
+
+  energy without entropy =       41.91506487  energy(sigma->0) =       41.91506487
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(  12)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.67: real time    2.68
+ BZINTS: Fermi energy: -5.000776; 36.000000 electrons
+         Band energy:-374.949077;  BLOECHL correction:  0.000000
+       DOS:  cpu time    0.00: real time    0.00
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.40: real time    3.60
+
+ eigenvalue-minimisations  :  1086
+ total energy-change (2. order) :-0.4224714E+02  (-0.9846787E+00)
+ number of electron      36.0000282 magnetization      22.4411772
+ augmentation part        1.8047656 magnetization      10.3004978
+
+ Broyden mixing:
+  rms(total) = 0.23500E+01    rms(broyden)= 0.23451E+01
+  rms(prec ) = 0.26785E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.5320
+  1.0853  1.0853  0.4567  0.4567  0.3298  0.2083  0.1019
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -892.03137360
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       157.47605436
+  PAW double counting   =      1984.29730143    -1992.70971232
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -374.94907697
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =        -0.33207963 eV
+
+  energy without entropy =       -0.33207963  energy(sigma->0) =       -0.33207963
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(  13)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.17
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.84: real time    2.84
+ BZINTS: Fermi energy: -5.121785; 36.000000 electrons
+         Band energy:-379.173618;  BLOECHL correction: -0.005553
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.58: real time    3.66
+
+ eigenvalue-minimisations  :  1178
+ total energy-change (2. order) :-0.5265898E+01  (-0.1639168E+00)
+ number of electron      36.0000301 magnetization      22.2459225
+ augmentation part        1.8830347 magnetization      11.3325956
+
+ Broyden mixing:
+  rms(total) = 0.26387E+01    rms(broyden)= 0.26376E+01
+  rms(prec ) = 0.30366E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.4795
+  1.0714  1.0714  0.4490  0.4490  0.3527  0.1182  0.1624  0.1624
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -889.62012931
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       154.09669613
+  PAW double counting   =      1773.78781903    -1782.27347272
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -379.17361788
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =        -5.59797728 eV
+
+  energy without entropy =       -5.59797728  energy(sigma->0) =       -5.59797728
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(  14)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.77: real time    2.77
+ BZINTS: Fermi energy: -5.150164; 36.000000 electrons
+         Band energy:-377.860271;  BLOECHL correction: -0.005153
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.50: real time    3.57
+
+ eigenvalue-minimisations  :  1136
+ total energy-change (2. order) : 0.8931602E+00  (-0.1710598E-01)
+ number of electron      36.0000294 magnetization      20.9718255
+ augmentation part        1.8561531 magnetization       9.6576061
+
+ Broyden mixing:
+  rms(total) = 0.24589E+01    rms(broyden)= 0.24589E+01
+  rms(prec ) = 0.28309E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.6510
+  1.3458  1.3458  0.6769  0.6769  0.4927  0.4927  0.3584  0.3584  0.1116
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -889.95856500
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       154.10037335
+  PAW double counting   =      1748.71932591    -1757.29040754
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -377.86027125
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =        -4.70481704 eV
+
+  energy without entropy =       -4.70481704  energy(sigma->0) =       -4.70481704
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(  15)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.75: real time    2.76
+ BZINTS: Fermi energy: -5.425996; 36.000000 electrons
+         Band energy:-383.884751;  BLOECHL correction:  0.000000
+       DOS:  cpu time    0.00: real time    0.00
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.48: real time    3.56
+
+ eigenvalue-minimisations  :  1132
+ total energy-change (2. order) :-0.8509743E+01  (-0.4831812E+00)
+ number of electron      36.0000307 magnetization      19.6020504
+ augmentation part        1.9203460 magnetization       9.1667754
+
+ Broyden mixing:
+  rms(total) = 0.26122E+01    rms(broyden)= 0.26115E+01
+  rms(prec ) = 0.30184E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.7194
+  1.4971  1.4971  0.9121  0.9121  0.5396  0.5396  0.4643  0.3599  0.3599  0.1117
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -885.55788904
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       147.45513415
+  PAW double counting   =      1300.83968674    -1309.65146779
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -383.88475119
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -13.21455964 eV
+
+  energy without entropy =      -13.21455964  energy(sigma->0) =      -13.21455964
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(  16)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.45
+     EDDAV:  cpu time    2.73: real time    2.73
+ BZINTS: Fermi energy: -5.323126; 36.000000 electrons
+         Band energy:-384.797470;  BLOECHL correction: -0.012000
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.47: real time    3.54
+
+ eigenvalue-minimisations  :  1116
+ total energy-change (2. order) :-0.1692632E+01  (-0.1890965E+00)
+ number of electron      36.0000195 magnetization      19.3632907
+ augmentation part        1.4355723 magnetization       2.2883329
+
+ Broyden mixing:
+  rms(total) = 0.86931E+00    rms(broyden)= 0.86045E+00
+  rms(prec ) = 0.10396E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.6676
+  1.4905  1.4905  0.9068  0.9068  0.5541  0.5541  0.4815  0.3570  0.3570  0.1117
+  0.1335
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -883.20644577
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       144.78821645
+  PAW double counting   =      1085.40634655    -1094.68256586
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -384.79747003
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -14.90719119 eV
+
+  energy without entropy =      -14.90719119  energy(sigma->0) =      -14.90719119
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(  17)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.75: real time    2.78
+ BZINTS: Fermi energy: -5.424161; 36.000000 electrons
+         Band energy:-385.238448;  BLOECHL correction: -0.016071
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.48: real time    3.61
+
+ eigenvalue-minimisations  :  1096
+ total energy-change (2. order) :-0.5044259E+00  (-0.1064502E-01)
+ number of electron      36.0000219 magnetization      19.3072037
+ augmentation part        1.5502792 magnetization       3.6647098
+
+ Broyden mixing:
+  rms(total) = 0.59448E+00    rms(broyden)= 0.59275E+00
+  rms(prec ) = 0.61770E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.6259
+  1.4937  1.4937  0.9156  0.9156  0.5501  0.5501  0.4977  0.3582  0.3582  0.1117
+  0.1328  0.1328
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -882.71036170
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       144.36687105
+  PAW double counting   =      1034.67865419    -1044.09306044
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -385.23844762
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -15.41161704 eV
+
+  energy without entropy =      -15.41161704  energy(sigma->0) =      -15.41161704
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(  18)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.17
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.47: real time    2.48
+ BZINTS: Fermi energy: -5.403874; 36.000000 electrons
+         Band energy:-385.090134;  BLOECHL correction: -0.015545
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.21: real time    3.29
+
+ eigenvalue-minimisations  :   976
+ total energy-change (2. order) :-0.5564040E-01  (-0.1150897E-02)
+ number of electron      36.0000209 magnetization      18.8768030
+ augmentation part        1.5056121 magnetization       2.6816077
+
+ Broyden mixing:
+  rms(total) = 0.57787E+00    rms(broyden)= 0.57760E+00
+  rms(prec ) = 0.65191E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.7020
+  2.0609  1.1332  0.9584  0.9584  0.7473  0.7473  0.5805  0.5107  0.3595  0.3595
+  0.4023  0.1117  0.1964
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -882.81577358
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       144.28518876
+  PAW double counting   =      1032.05898272    -1041.49024931
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -385.09013352
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -15.46725745 eV
+
+  energy without entropy =      -15.46725745  energy(sigma->0) =      -15.46725745
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(  19)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.94: real time    2.94
+ BZINTS: Fermi energy: -5.449735; 36.000000 electrons
+         Band energy:-383.465199;  BLOECHL correction: -0.014889
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.68: real time    3.84
+
+ eigenvalue-minimisations  :  1232
+ total energy-change (2. order) :-0.5638876E+00  (-0.1465955E-01)
+ number of electron      36.0000210 magnetization      18.4445069
+ augmentation part        1.5073135 magnetization       2.4038605
+
+ Broyden mixing:
+  rms(total) = 0.46649E+00    rms(broyden)= 0.46648E+00
+  rms(prec ) = 0.54289E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.7561
+  2.6146  1.1953  1.1953  0.8434  0.8434  0.7813  0.7813  0.4914  0.4914  0.3570
+  0.3570  0.1117  0.2938  0.2288
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -884.29085689
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.76492124
+  PAW double counting   =       998.51954621    -1008.14428377
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -383.46519936
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -16.03114508 eV
+
+  energy without entropy =      -16.03114508  energy(sigma->0) =      -16.03114508
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(  20)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.84: real time    2.85
+ BZINTS: Fermi energy: -5.507484; 36.000000 electrons
+         Band energy:-382.905782;  BLOECHL correction: -0.001229
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.58: real time    3.66
+
+ eigenvalue-minimisations  :  1182
+ total energy-change (2. order) :-0.9095041E+00  (-0.1634946E-01)
+ number of electron      36.0000267 magnetization      18.3896369
+ augmentation part        1.7273238 magnetization       6.2117871
+
+ Broyden mixing:
+  rms(total) = 0.15905E+01    rms(broyden)= 0.15843E+01
+  rms(prec ) = 0.18457E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.7256
+  2.5664  1.2476  1.2476  0.8652  0.8652  0.7867  0.7867  0.5200  0.5200  0.3592
+  0.3592  0.1117  0.3151  0.2245  0.1084
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -885.15756373
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.29111950
+  PAW double counting   =       963.07128730     -972.82443793
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -382.90578176
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -16.94064915 eV
+
+  energy without entropy =      -16.94064915  energy(sigma->0) =      -16.94064915
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(  21)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.76: real time    2.76
+ BZINTS: Fermi energy: -5.484878; 36.000000 electrons
+         Band energy:-382.291243;  BLOECHL correction: -0.001616
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.50: real time    3.57
+
+ eigenvalue-minimisations  :  1136
+ total energy-change (2. order) : 0.2186693E+00  (-0.6197707E-02)
+ number of electron      36.0000264 magnetization      18.3834540
+ augmentation part        1.7102575 magnetization       6.1916572
+
+ Broyden mixing:
+  rms(total) = 0.15663E+01    rms(broyden)= 0.15661E+01
+  rms(prec ) = 0.18499E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.6809
+  2.5239  1.2443  1.2443  0.8608  0.8608  0.7904  0.7904  0.5190  0.5190  0.3592
+  0.3592  0.1117  0.3154  0.2241  0.0861  0.0861
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -885.63976306
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.41020315
+  PAW double counting   =       960.18294465     -969.96884953
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -382.29124253
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -16.72197984 eV
+
+  energy without entropy =      -16.72197984  energy(sigma->0) =      -16.72197984
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(  22)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.45
+     EDDAV:  cpu time    2.35: real time    2.36
+ BZINTS: Fermi energy: -5.481795; 36.000000 electrons
+         Band energy:-382.243893;  BLOECHL correction: -0.001554
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.09: real time    3.18
+
+ eigenvalue-minimisations  :   916
+ total energy-change (2. order) : 0.5915827E-01  (-0.2691017E-03)
+ number of electron      36.0000264 magnetization      18.3497996
+ augmentation part        1.7083283 magnetization       6.1570172
+
+ Broyden mixing:
+  rms(total) = 0.15648E+01    rms(broyden)= 0.15648E+01
+  rms(prec ) = 0.18512E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.6632
+  2.5046  1.2208  1.2208  0.8636  0.8636  0.8334  0.7539  0.5190  0.5190  0.3597
+  0.3597  0.3145  0.1117  0.2242  0.2488  0.1782  0.1782
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -885.66247118
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.44812963
+  PAW double counting   =       959.20684455     -968.99615879
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -382.24389326
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -16.66282157 eV
+
+  energy without entropy =      -16.66282157  energy(sigma->0) =      -16.66282157
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(  23)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    1.99: real time    1.99
+ BZINTS: Fermi energy: -5.483525; 36.000000 electrons
+         Band energy:-382.000084;  BLOECHL correction: -0.001742
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    2.73: real time    2.81
+
+ eigenvalue-minimisations  :   708
+ total energy-change (2. order) : 0.2253046E-01  (-0.1284185E-03)
+ number of electron      36.0000263 magnetization      18.1793582
+ augmentation part        1.7075277 magnetization       5.9868555
+
+ Broyden mixing:
+  rms(total) = 0.15536E+01    rms(broyden)= 0.15536E+01
+  rms(prec ) = 0.18390E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.6871
+  2.5675  1.2948  1.2948  0.8536  0.8536  0.7873  0.7873  0.4070  0.4070  0.5264
+  0.5264  0.3432  0.3432  0.3614  0.3614  0.1117  0.3185  0.2233
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -885.86947653
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.44490502
+  PAW double counting   =       957.43991580     -967.24027938
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -382.00008350
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -16.64029111 eV
+
+  energy without entropy =      -16.64029111  energy(sigma->0) =      -16.64029111
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(  24)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.43: real time    2.43
+ BZINTS: Fermi energy: -5.484569; 36.000000 electrons
+         Band energy:-380.844096;  BLOECHL correction: -0.008400
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.18: real time    3.26
+
+ eigenvalue-minimisations  :   960
+ total energy-change (2. order) : 0.3787254E-01  (-0.3714354E-02)
+ number of electron      36.0000259 magnetization      17.9554132
+ augmentation part        1.7008462 magnetization       5.4790605
+
+ Broyden mixing:
+  rms(total) = 0.13677E+01    rms(broyden)= 0.13675E+01
+  rms(prec ) = 0.16030E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.7550
+  2.6673  1.6279  1.6279  0.8446  0.8446  0.4929  0.4929  0.8030  0.8030  0.5696
+  0.5696  0.5505  0.5505  0.5172  0.1117  0.3639  0.3639  0.3205  0.2232
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -886.86503661
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.37197117
+  PAW double counting   =       960.88423636     -970.73422049
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -380.84409648
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -16.60241858 eV
+
+  energy without entropy =      -16.60241858  energy(sigma->0) =      -16.60241858
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(  25)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.56: real time    2.56
+ BZINTS: Fermi energy: -5.473958; 36.000000 electrons
+         Band energy:-379.716010;  BLOECHL correction: -0.008148
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.30: real time    3.48
+
+ eigenvalue-minimisations  :  1024
+ total energy-change (2. order) :-0.1097232E+00  (-0.3544671E-02)
+ number of electron      36.0000251 magnetization      17.6692000
+ augmentation part        1.6707282 magnetization       4.7645423
+
+ Broyden mixing:
+  rms(total) = 0.11191E+01    rms(broyden)= 0.11189E+01
+  rms(prec ) = 0.13198E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.8034
+  2.7350  2.5126  1.3438  0.7834  0.7834  0.8536  0.8536  0.4789  0.4789  0.8358
+  0.8358  0.5913  0.5913  0.5035  0.5035  0.1117  0.3640  0.3640  0.3211  0.2232
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -887.93684630
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.26606407
+  PAW double counting   =       977.10293201     -987.01300926
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -379.71600977
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -16.71214178 eV
+
+  energy without entropy =      -16.71214178  energy(sigma->0) =      -16.71214178
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(  26)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.63: real time    2.67
+ BZINTS: Fermi energy: -5.444933; 36.000000 electrons
+         Band energy:-378.605065;  BLOECHL correction: -0.015666
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.37: real time    3.49
+
+ eigenvalue-minimisations  :  1040
+ total energy-change (2. order) :-0.6503848E-01  (-0.9170618E-02)
+ number of electron      36.0000220 magnetization      17.6501353
+ augmentation part        1.5482718 magnetization       2.5334432
+
+ Broyden mixing:
+  rms(total) = 0.21401E+00    rms(broyden)= 0.19699E+00
+  rms(prec ) = 0.21021E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.8582
+  3.1762  3.1762  1.1362  1.1362  0.9971  0.9971  0.8111  0.8111  0.4794  0.4794
+  0.6636  0.6636  0.4978  0.4978  0.5583  0.5583  0.1117  0.3639  0.3639  0.3207
+  0.2232
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -888.97267570
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.16389942
+  PAW double counting   =       999.93621679    -1009.88428341
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -378.60506484
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -16.77718026 eV
+
+  energy without entropy =      -16.77718026  energy(sigma->0) =      -16.77718026
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(  27)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.69: real time    2.69
+ BZINTS: Fermi energy: -5.432710; 36.000000 electrons
+         Band energy:-378.397695;  BLOECHL correction: -0.017512
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.44: real time    3.51
+
+ eigenvalue-minimisations  :  1098
+ total energy-change (2. order) :-0.2018599E+00  (-0.3719164E-02)
+ number of electron      36.0000204 magnetization      17.6766866
+ augmentation part        1.4741004 magnetization       1.6955757
+
+ Broyden mixing:
+  rms(total) = 0.47936E+00    rms(broyden)= 0.47694E+00
+  rms(prec ) = 0.57289E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.8261
+  3.1241  3.1241  1.0700  1.0700  0.9834  0.9834  0.8300  0.8300  0.4795  0.4795
+  0.6769  0.6769  0.5100  0.5100  0.5916  0.5257  0.1117  0.3637  0.3637  0.2232
+  0.3206  0.3258
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -889.28984567
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.06921673
+  PAW double counting   =      1007.84208839    -1017.78753161
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -378.39769544
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -16.97904012 eV
+
+  energy without entropy =      -16.97904012  energy(sigma->0) =      -16.97904012
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(  28)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.32: real time    2.32
+ BZINTS: Fermi energy: -5.472471; 36.000000 electrons
+         Band energy:-378.857666;  BLOECHL correction: -0.018286
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.06: real time    3.14
+
+ eigenvalue-minimisations  :   890
+ total energy-change (2. order) :-0.2281953E-01  (-0.1043841E-02)
+ number of electron      36.0000212 magnetization      17.6708969
+ augmentation part        1.5105470 magnetization       2.2336587
+
+ Broyden mixing:
+  rms(total) = 0.28629E+00    rms(broyden)= 0.28612E+00
+  rms(prec ) = 0.35367E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.8714
+  3.8676  3.1368  1.2705  1.2705  0.8301  0.8301  0.9684  0.9684  0.4794  0.4794
+  0.5584  0.5584  0.6648  0.6648  0.4956  0.4956  0.5597  0.5597  0.1117  0.3639
+  0.3639  0.3207  0.2232
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -888.83571525
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.04467939
+  PAW double counting   =      1005.62963586    -1015.56752111
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -378.85766601
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.00185964 eV
+
+  energy without entropy =      -17.00185964  energy(sigma->0) =      -17.00185964
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(  29)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.58: real time    2.58
+ BZINTS: Fermi energy: -5.497943; 36.000000 electrons
+         Band energy:-379.572736;  BLOECHL correction: -0.011858
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.32: real time    3.41
+
+ eigenvalue-minimisations  :  1032
+ total energy-change (2. order) :-0.5295062E-01  (-0.8117762E-02)
+ number of electron      36.0000240 magnetization      17.6536068
+ augmentation part        1.6270230 magnetization       4.1929894
+
+ Broyden mixing:
+  rms(total) = 0.77380E+00    rms(broyden)= 0.77064E+00
+  rms(prec ) = 0.93865E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.8771
+  3.7156  3.7156  1.2673  1.2673  1.0198  1.0198  0.8273  0.8273  0.4797  0.4797
+  0.5905  0.5905  0.6342  0.6342  0.5172  0.5172  0.5272  0.5272  0.5088  0.1117
+  0.3639  0.3639  0.3208  0.2232
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -888.16347889
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.01709726
+  PAW double counting   =      1009.96001611    -1019.88043596
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -379.57273626
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.05481026 eV
+
+  energy without entropy =      -17.05481026  energy(sigma->0) =      -17.05481026
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(  30)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.35: real time    2.35
+ BZINTS: Fermi energy: -5.494685; 36.000000 electrons
+         Band energy:-379.647528;  BLOECHL correction: -0.015616
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.09: real time    3.17
+
+ eigenvalue-minimisations  :   906
+ total energy-change (2. order) : 0.8343585E-01  (-0.2038725E-02)
+ number of electron      36.0000220 magnetization      17.6971628
+ augmentation part        1.5467898 magnetization       2.5975052
+
+ Broyden mixing:
+  rms(total) = 0.16866E+00    rms(broyden)= 0.16335E+00
+  rms(prec ) = 0.17969E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.9175
+  3.8297  3.8297  1.4571  1.4571  1.3014  1.3014  0.8187  0.8187  0.4795  0.4795
+  0.5667  0.5667  0.6930  0.6930  0.5228  0.5228  0.5888  0.5888  0.5708  0.1117
+  0.4666  0.3639  0.3639  0.3207  0.2232
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -888.06005370
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.04877678
+  PAW double counting   =      1016.53708167    -1026.43437903
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -379.64752761
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -16.97137441 eV
+
+  energy without entropy =      -16.97137441  energy(sigma->0) =      -16.97137441
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(  31)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.40: real time    2.40
+ BZINTS: Fermi energy: -5.516541; 36.000000 electrons
+         Band energy:-380.412354;  BLOECHL correction: -0.017659
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.14: real time    3.22
+
+ eigenvalue-minimisations  :   936
+ total energy-change (2. order) :-0.7076655E-01  (-0.6142418E-02)
+ number of electron      36.0000212 magnetization      17.7305008
+ augmentation part        1.5028843 magnetization       2.1459600
+
+ Broyden mixing:
+  rms(total) = 0.34122E+00    rms(broyden)= 0.34013E+00
+  rms(prec ) = 0.42157E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.8972
+  3.5491  3.5491  1.7061  1.4409  1.3258  1.3258  0.8110  0.8110  0.4795  0.4795
+  0.5625  0.5625  0.7801  0.7801  0.5192  0.5192  0.5844  0.5844  0.5781  0.1117
+  0.5166  0.4782  0.3639  0.3639  0.3207  0.2232
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -887.34381368
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       142.99628844
+  PAW double counting   =      1009.96411332    -1019.83110284
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -380.41235367
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.04214096 eV
+
+  energy without entropy =      -17.04214096  energy(sigma->0) =      -17.04214096
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(  32)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.22: real time    2.22
+ BZINTS: Fermi energy: -5.525404; 36.000000 electrons
+         Band energy:-380.672699;  BLOECHL correction: -0.017894
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    2.96: real time    3.04
+
+ eigenvalue-minimisations  :   836
+ total energy-change (2. order) : 0.1823482E-01  (-0.7037587E-03)
+ number of electron      36.0000216 magnetization      17.7269622
+ augmentation part        1.5246116 magnetization       2.3379787
+
+ Broyden mixing:
+  rms(total) = 0.20905E+00    rms(broyden)= 0.20900E+00
+  rms(prec ) = 0.25417E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.8931
+  3.3880  3.3880  2.3778  1.4353  1.4353  1.1070  0.8072  0.8072  0.8614  0.8614
+  0.4795  0.4795  0.5642  0.5642  0.5198  0.5198  0.1117  0.5844  0.5844  0.6084
+  0.5069  0.5069  0.3639  0.3639  0.3207  0.2232  0.3427
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -887.07916398
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.00527489
+  PAW double counting   =      1004.70449623    -1014.56654217
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -380.67269859
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.02390614 eV
+
+  energy without entropy =      -17.02390614  energy(sigma->0) =      -17.02390614
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    1(  33)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    1.94: real time    1.94
+ BZINTS: Fermi energy: -5.524662; 36.000000 electrons
+         Band energy:-380.758518;  BLOECHL correction: -0.015843
+       DOS:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    2.57: real time    2.65
+
+ eigenvalue-minimisations  :   680
+ total energy-change (2. order) : 0.3254863E-03  (-0.9965746E-03)
+ number of electron      36.0000216 magnetization      17.7269622
+ augmentation part        1.5246116 magnetization       2.3379787
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        17.30938353
+  Ewald energy   TEWEN  =      -969.27828165
+  -1/2 Hartree   DENC   =      -886.97754990
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       142.99189151
+  PAW double counting   =      1001.89283652    -1011.75696793
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -380.75851833
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.02358066 eV
+
+  energy without entropy =      -17.02358066  energy(sigma->0) =      -17.02358066
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+ average (electrostatic) potential at core
+  the test charge radii are     0.6991  0.7215  0.7089
+  (the norm of the test charge is              1.0000)
+       1 -61.7377       2 -81.1092       3 -81.1092       4 -72.7630       5 -72.7630
+       6 -73.0518       7 -73.0518
+ 
+ 
+ 
+ E-fermi :  -5.5247     XC(G=0):  -4.6190     alpha+bet : -1.8813
+
+
+ spin component 1
+
+ k-point   1 :       0.0000    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -23.2702      1.00000
+      2     -23.2622      1.00000
+      3     -18.1075      1.00000
+      4     -17.6293      1.00000
+      5     -17.6118      1.00000
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+      7     -14.2149      1.00000
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+      9      -9.1077      1.00000
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+     13      -7.8349      1.00000
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+     15      -6.7401      1.00000
+     16      -6.5984      1.00000
+     17      -6.0324      1.00000
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+     26      -5.5725      1.00000
+     27      -5.3857     -0.40265
+     28      -5.3857      0.00000
+     29       0.5317      0.00000
+     30       1.4447      0.00000
+     31       1.8683      0.00000
+     32       3.7699      0.00000
+     33       3.8916      0.00000
+     34       4.6154      0.00000
+     35       5.9793      0.00000
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+     38       6.6245      0.00000
+     39       7.0754      0.00000
+     40       7.0754      0.00000
+     41       7.1689      0.00000
+     42       7.1689      0.00000
+
+ k-point   2 :       0.3333    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -23.2685      1.00000
+      2     -23.2611      1.00000
+      3     -17.9913      1.00000
+      4     -17.7313      1.00000
+      5     -17.6055      1.00000
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+      7     -14.1980      1.00000
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+     27      -5.5396      0.82301
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+     29       1.4065      0.00000
+     30       2.1333      0.00000
+     31       2.6763      0.00000
+     32       3.4306      0.00000
+     33       3.9788      0.00000
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+     39       6.5821      0.00000
+     40       6.9910      0.00000
+     41       7.3236      0.00000
+     42       7.4719      0.00000
+
+ k-point   3 :       0.3333    0.3333    0.0000
+  band No.  band energies     occupation 
+      1     -23.2674      1.00000
+      2     -23.2597      1.00000
+      3     -17.9021      1.00000
+      4     -17.7594      1.00000
+      5     -17.5994      1.00000
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+      8      -9.1924      1.00000
+      9      -9.1001      1.00000
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+     25      -5.5753      1.00000
+     26      -5.5610      1.00000
+     27      -5.5269      0.88715
+     28      -5.5214      0.00000
+     29       2.1515      0.00000
+     30       2.7574      0.00000
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+     33       4.3061      0.00000
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+     39       5.4353      0.00000
+     40       6.3427      0.00000
+     41       6.4804      0.00000
+     42       6.4934      0.00000
+
+ k-point   4 :       0.0000    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -23.2700      1.00000
+      2     -23.2623      1.00000
+      3     -18.1074      1.00000
+      4     -17.6293      1.00000
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+      6     -17.4891      1.00000
+      7     -14.2149      1.00000
+      8      -9.1935      1.00000
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+     26      -5.5713      1.00000
+     27      -5.3856     -0.38825
+     28      -5.3856      0.00000
+     29       0.5726      0.00000
+     30       1.2292      0.00000
+     31       2.2342      0.00000
+     32       3.1010      0.00000
+     33       4.6202      0.00000
+     34       4.6210      0.00000
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+     36       6.0881      0.00000
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+     39       7.0665      0.00000
+     40       7.0665      0.00000
+     41       7.1872      0.00000
+     42       7.1872      0.00000
+
+ k-point   5 :       0.3333    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -23.2689      1.00000
+      2     -23.2613      1.00000
+      3     -17.9913      1.00000
+      4     -17.7313      1.00000
+      5     -17.6056      1.00000
+      6     -17.5025      1.00000
+      7     -14.1980      1.00000
+      8      -9.1960      1.00000
+      9      -9.1040      1.00000
+     10      -7.8956      1.00000
+     11      -7.8917      1.00000
+     12      -7.8489      1.00000
+     13      -7.8329      1.00000
+     14      -6.6653      1.00000
+     15      -6.6169      1.00000
+     16      -6.5696      1.00000
+     17      -6.3366      1.00000
+     18      -6.2130      1.00000
+     19      -6.0638      1.00000
+     20      -5.9445      1.00000
+     21      -5.9395      1.00000
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+     23      -5.6879      1.00000
+     24      -5.6100      1.00000
+     25      -5.5916      1.00000
+     26      -5.5734      1.00000
+     27      -5.5469      0.84789
+     28      -5.3817      0.00000
+     29       1.4360      0.00000
+     30       1.9972      0.00000
+     31       2.9198      0.00000
+     32       3.4647      0.00000
+     33       3.7166      0.00000
+     34       4.0813      0.00000
+     35       4.9182      0.00000
+     36       5.1958      0.00000
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+     39       6.8441      0.00000
+     40       6.9902      0.00000
+     41       7.3240      0.00000
+     42       7.3575      0.00000
+
+ k-point   6 :       0.3333    0.3333    0.3333
+  band No.  band energies     occupation 
+      1     -23.2669      1.00000
+      2     -23.2596      1.00000
+      3     -17.9021      1.00000
+      4     -17.7594      1.00000
+      5     -17.5994      1.00000
+      6     -17.5551      1.00000
+      7     -14.1801      1.00000
+      8      -9.1896      1.00000
+      9      -9.1012      1.00000
+     10      -7.9063      1.00000
+     11      -7.8978      1.00000
+     12      -7.8808      1.00000
+     13      -7.8724      1.00000
+     14      -6.9951      1.00000
+     15      -6.6334      1.00000
+     16      -6.6069      1.00000
+     17      -6.5195      1.00000
+     18      -6.1641      1.00000
+     19      -5.9997      1.00000
+     20      -5.9308      1.00000
+     21      -5.7570      1.00000
+     22      -5.6781      1.00000
+     23      -5.6245      1.00000
+     24      -5.6046      1.00000
+     25      -5.5717      1.00000
+     26      -5.5566      1.00000
+     27      -5.5297      0.89427
+     28      -5.5205      0.00000
+     29       2.1713      0.00000
+     30       2.6720      0.00000
+     31       3.3996      0.00000
+     32       3.9259      0.00000
+     33       4.1958      0.00000
+     34       4.3423      0.00000
+     35       4.5582      0.00000
+     36       5.0848      0.00000
+     37       5.1359      0.00000
+     38       5.3567      0.00000
+     39       5.6728      0.00000
+     40       6.1222      0.00000
+     41       6.1942      0.00000
+     42       6.5546      0.00000
+
+ spin component 2
+
+ k-point   1 :       0.0000    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -19.9749      1.00000
+      2     -19.9641      1.00000
+      3     -13.6941      1.00000
+      4     -13.0199      1.00000
+      5     -12.9787      1.00000
+      6     -12.8326      1.00000
+      7     -11.7710      1.00000
+      8      -5.5027      0.60664
+      9      -5.5027      0.48059
+     10      -5.4592     -0.04696
+     11      -5.4592     -0.00481
+     12      -4.8377      0.00000
+     13      -4.6643      0.00000
+     14      -3.5812      0.00000
+     15      -3.5812      0.00000
+     16      -2.8369      0.00000
+     17      -2.8369      0.00000
+     18      -2.6441      0.00000
+     19      -2.5073      0.00000
+     20      -1.8742      0.00000
+     21      -1.7239      0.00000
+     22      -1.6755      0.00000
+     23      -1.6755      0.00000
+     24      -1.5479      0.00000
+     25      -1.5479      0.00000
+     26      -1.2970      0.00000
+     27      -1.0981      0.00000
+     28      -1.0981      0.00000
+     29       1.2752      0.00000
+     30       2.4698      0.00000
+     31       2.9829      0.00000
+     32       4.8138      0.00000
+     33       4.9899      0.00000
+     34       5.0810      0.00000
+     35       6.6732      0.00000
+     36       7.1329      0.00000
+     37       7.5050      0.00000
+     38       7.5147      0.00000
+     39       7.7546      0.00000
+     40       7.7546      0.00000
+     41       7.9823      0.00000
+     42       7.9823      0.00000
+
+ k-point   2 :       0.3333    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -19.9718      1.00000
+      2     -19.9614      1.00000
+      3     -13.5260      1.00000
+      4     -13.1353      1.00000
+      5     -13.0068      1.00000
+      6     -12.8451      1.00000
+      7     -11.7458      1.00000
+      8      -5.5647      1.00996
+      9      -5.5549      1.00643
+     10      -5.4801     -0.07125
+     11      -5.4526     -0.07867
+     12      -4.8991      0.00000
+     13      -4.6467      0.00000
+     14      -3.7875      0.00000
+     15      -3.5820      0.00000
+     16      -2.7815      0.00000
+     17      -2.7013      0.00000
+     18      -2.5802      0.00000
+     19      -2.4116      0.00000
+     20      -2.2246      0.00000
+     21      -2.1578      0.00000
+     22      -1.8016      0.00000
+     23      -1.6762      0.00000
+     24      -1.6522      0.00000
+     25      -1.3841      0.00000
+     26      -1.1849      0.00000
+     27      -1.1568      0.00000
+     28      -1.1016      0.00000
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+     32       4.1234      0.00000
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+     35       5.7471      0.00000
+     36       5.8717      0.00000
+     37       7.2345      0.00000
+     38       7.4935      0.00000
+     39       7.5010      0.00000
+     40       7.8771      0.00000
+     41       8.0106      0.00000
+     42       8.3905      0.00000
+
+ k-point   3 :       0.3333    0.3333    0.0000
+  band No.  band energies     occupation 
+      1     -19.9698      1.00000
+      2     -19.9591      1.00000
+      3     -13.3926      1.00000
+      4     -13.1724      1.00000
+      5     -12.9943      1.00000
+      6     -12.9255      1.00000
+      7     -11.7181      1.00000
+      8      -5.6021      1.01764
+      9      -5.5775      1.01710
+     10      -5.5383      0.60279
+     11      -5.5269      0.35895
+     12      -4.8621      0.00000
+     13      -4.6348      0.00000
+     14      -3.7707      0.00000
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+     41       7.6134      0.00000
+     42       7.6951      0.00000
+
+ k-point   4 :       0.0000    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -19.9745      1.00000
+      2     -19.9641      1.00000
+      3     -13.6940      1.00000
+      4     -13.0199      1.00000
+      5     -12.9788      1.00000
+      6     -12.8326      1.00000
+      7     -11.7710      1.00000
+      8      -5.5022      0.60053
+      9      -5.5022      0.47405
+     10      -5.4594     -0.04779
+     11      -5.4594     -0.00447
+     12      -4.8392      0.00000
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+     14      -3.5810      0.00000
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+     16      -2.8373      0.00000
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+     18      -2.6407      0.00000
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+     20      -1.8350      0.00000
+     21      -1.7237      0.00000
+     22      -1.6753      0.00000
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+     26      -1.3296      0.00000
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+     39       7.7521      0.00000
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+     41       7.9914      0.00000
+     42       7.9914      0.00000
+
+ k-point   5 :       0.3333    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -19.9722      1.00000
+      2     -19.9617      1.00000
+      3     -13.5260      1.00000
+      4     -13.1354      1.00000
+      5     -13.0069      1.00000
+      6     -12.8451      1.00000
+      7     -11.7458      1.00000
+      8      -5.5653      1.01057
+      9      -5.5558      1.00787
+     10      -5.4811     -0.06899
+     11      -5.4530     -0.07838
+     12      -4.8957      0.00000
+     13      -4.6529      0.00000
+     14      -3.7858      0.00000
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+     16      -2.7809      0.00000
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+     22      -1.8018      0.00000
+     23      -1.6766      0.00000
+     24      -1.6529      0.00000
+     25      -1.3944      0.00000
+     26      -1.1758      0.00000
+     27      -1.1575      0.00000
+     28      -1.1043      0.00000
+     29       2.2346      0.00000
+     30       2.9994      0.00000
+     31       4.0171      0.00000
+     32       4.1832      0.00000
+     33       4.6640      0.00000
+     34       5.0903      0.00000
+     35       6.0045      0.00000
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+     37       6.8119      0.00000
+     38       7.4927      0.00000
+     39       7.5476      0.00000
+     40       7.8892      0.00000
+     41       8.0261      0.00000
+     42       8.3239      0.00000
+
+ k-point   6 :       0.3333    0.3333    0.3333
+  band No.  band energies     occupation 
+      1     -19.9692      1.00000
+      2     -19.9590      1.00000
+      3     -13.3924      1.00000
+      4     -13.1724      1.00000
+      5     -12.9943      1.00000
+      6     -12.9254      1.00000
+      7     -11.7181      1.00000
+      8      -5.6012      1.01730
+      9      -5.5766      1.01640
+     10      -5.5382      0.60171
+     11      -5.5263      0.35220
+     12      -4.8506      0.00000
+     13      -4.6498      0.00000
+     14      -3.7665      0.00000
+     15      -3.7534      0.00000
+     16      -3.2430      0.00000
+     17      -2.7704      0.00000
+     18      -2.6713      0.00000
+     19      -2.5336      0.00000
+     20      -2.3768      0.00000
+     21      -2.0273      0.00000
+     22      -1.8066      0.00000
+     23      -1.7218      0.00000
+     24      -1.3454      0.00000
+     25      -1.1620      0.00000
+     26      -1.1545      0.00000
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+     28      -1.0755      0.00000
+     29       2.9812      0.00000
+     30       3.6656      0.00000
+     31       4.3940      0.00000
+     32       4.5902      0.00000
+     33       5.0763      0.00000
+     34       5.2270      0.00000
+     35       5.3739      0.00000
+     36       6.0327      0.00000
+     37       6.1448      0.00000
+     38       6.3443      0.00000
+     39       6.5474      0.00000
+     40       7.2574      0.00000
+     41       7.3320      0.00000
+     42       7.9416      0.00000
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+ soft charge-density along one line, spin component           1
+         0         1         2         3         4         5         6         7         8         9
+ total charge-density along one line
+ 
+ soft charge-density along one line, spin component           2
+         0         1         2         3         4         5         6         7         8         9
+ total charge-density along one line
+ 
+ pseudopotential strength for first ion, spin component:           1
+ 10.555   0.031   0.000   0.000   0.000   0.000   0.000   0.000
+  0.031  -0.001   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000  -4.594   0.000   0.000  -0.023   0.000   0.000
+  0.000   0.000   0.000  -4.626   0.000   0.000  -0.032   0.000
+  0.000   0.000   0.000   0.000  -4.594   0.000   0.000  -0.023
+  0.000   0.000  -0.023   0.000   0.000  -0.776   0.000   0.000
+  0.000   0.000   0.000  -0.032   0.000   0.000  -0.776   0.000
+  0.000   0.000   0.000   0.000  -0.023   0.000   0.000  -0.776
+ pseudopotential strength for first ion, spin component:           2
+ 10.104   0.007   0.000   0.000   0.000   0.000   0.000   0.000
+  0.007  -0.001   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000  -4.556   0.000   0.000   0.062   0.000   0.000
+  0.000   0.000   0.000  -4.569   0.000   0.000   0.085   0.000
+  0.000   0.000   0.000   0.000  -4.556   0.000   0.000   0.062
+  0.000   0.000   0.062   0.000   0.000  -0.767   0.000   0.000
+  0.000   0.000   0.000   0.085   0.000   0.000  -0.768   0.000
+  0.000   0.000   0.000   0.000   0.062   0.000   0.000  -0.767
+ total augmentation occupancy for first ion, spin component:           1
+  2.044   0.171   0.000   0.000   0.000   0.000   0.000   0.000
+  0.171   0.022   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.529   0.000   0.000   0.004   0.000   0.000
+  0.000   0.000   0.000   1.111   0.000   0.000  -0.007   0.000
+  0.000   0.000   0.000   0.000   0.529   0.000   0.000   0.004
+  0.000   0.000   0.004   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000  -0.007   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000   0.000   0.004   0.000   0.000   0.000
+ total augmentation occupancy for first ion, spin component:           2
+  0.043  -0.095   0.000   0.000   0.000   0.000   0.000   0.000
+ -0.095  -0.017   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.512   0.000   0.000   0.003   0.000   0.000
+  0.000   0.000   0.000   1.107   0.000   0.000  -0.007   0.000
+  0.000   0.000   0.000   0.000   0.512   0.000   0.000   0.003
+  0.000   0.000   0.003   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000  -0.007   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000   0.000   0.003   0.000   0.000   0.000
+
+
+------------------------ aborting loop because EDIFF is reached ----------------------------------------
+
+
+ 
+
+
+ total charge     
+ 
+# of ion     s       p       d       tot
+----------------------------------------
+  1        1.071   0.891   0.000   1.962
+  2        1.649   2.996   0.000   4.645
+  3        1.649   2.996   0.000   4.645
+  4        1.373   1.851   0.000   3.224
+  5        1.373   1.851   0.000   3.224
+  6        1.378   1.870   0.000   3.248
+  7        1.377   1.867   0.000   3.245
+------------------------------------------------
+tot        9.870  14.321   0.000  24.191
+ 
+
+
+ magnetization (x)
+ 
+# of ion     s       p       d       tot
+----------------------------------------
+  1        0.030   0.873   0.000   0.903
+  2        0.017   1.459   0.000   1.476
+  3        0.017   1.459   0.000   1.476
+  4        0.044   1.849   0.000   1.892
+  5        0.044   1.849   0.000   1.892
+  6        0.043   1.869   0.000   1.912
+  7        0.043   1.867   0.000   1.910
+------------------------------------------------
+tot        0.236  11.225   0.000  11.461
+ 
+    CHARGE:  cpu time    0.10: real time    0.10
+    FORLOC:  cpu time    0.01: real time    0.01
+    FORNL :  cpu time    0.40: real time    0.40
+    STRESS:  cpu time    0.54: real time    0.54
+    FORHAR:  cpu time    0.03: real time    0.03
+    MIXING:  cpu time    0.02: real time    0.02
+
+  FORCE on cell =-STRESS in cart. coord.  units (eV):
+  Direction    XX          YY          ZZ          XY          YZ          ZX
+  --------------------------------------------------------------------------------------
+  Alpha Z    17.30938    17.30938    17.30938
+  Ewald    -332.98962  -332.98962  -303.30041     0.00000     0.00000     0.00000
+  Hartree   298.64207   298.64207   292.06301     0.00000     0.00000     0.00000
+  E(xc)    -152.79875  -152.79875  -153.28992     0.00000     0.00000     0.00000
+  Local    -456.56886  -456.56886  -463.46457     0.00000     0.00000     0.00000
+  n-local   -68.80803   -60.05341   -61.26837    -1.57614     0.01936     0.07807
+  augment    16.27607    16.27607    12.08604     0.00000     0.00000     0.00000
+  Kinetic   687.44191   657.09259   658.50721     6.01848    -0.07051    -0.29747
+  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+  -------------------------------------------------------------------------------------
+  Total      -2.29317    -2.29317    -1.35763     0.00000     0.00000     0.00000
+  in kB     -11.56255   -11.56255    -6.84540     0.00000     0.00000     0.00000
+  external pressure =       -9.99 kB  Pullay stress =        0.00 kB
+
+
+ VOLUME and BASIS-vectors are now :
+ -----------------------------------------------------------------------------
+  energy-cutoff  :      400.00
+  volume of cell :      317.76
+      direct lattice vectors                 reciprocal lattice vectors
+     4.763926822  0.000000000  0.000000000     0.209910865  0.000000000  0.000000000
+     0.000000000  4.763926822  0.000000000     0.000000000  0.209910865  0.000000000
+     0.000000000  0.000000000 14.001151119     0.000000000  0.000000000  0.071422699
+
+  length of vectors
+     4.763926822  4.763926822 14.001151119     0.209910865  0.209910865  0.071422699
+
+
+ FORCES acting on ions
+    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
+ -----------------------------------------------------------------------------------------------
+   -.274E-15 -.565E-15 -.333E-14   0.399E-15 -.612E-15 -.528E-14   0.000E+00 0.000E+00 0.000E+00   -.250E-13 -.150E-15 -.209E-13
+   0.205E-12 -.764E-12 -.366E+02   0.227E-15 -.181E-15 0.374E+02   0.000E+00 -.169E-20 0.659E+00   0.556E-11 0.484E-12 -.114E+01
+   0.186E-12 -.126E-11 0.366E+02   0.106E-15 0.925E-15 -.374E+02   0.000E+00 0.169E-20 -.659E+00   -.560E-11 -.599E-12 0.114E+01
+   0.783E-13 -.489E-12 0.503E+02   0.137E-15 0.401E-15 -.511E+02   0.163E-18 -.108E-18 -.667E-01   -.257E-11 -.179E-11 0.838E+00
+   0.690E-13 -.692E-12 -.503E+02   0.507E-15 -.171E-14 0.511E+02   -.542E-19 -.108E-18 0.667E-01   0.254E-11 0.170E-11 -.838E+00
+   0.828E-13 0.653E-15 -.155E-12   -.226E-14 0.377E-15 -.213E-13   0.000E+00 0.000E+00 0.000E+00   -.608E-14 -.111E-14 0.259E-13
+   0.489E-15 0.878E-13 0.248E-12   0.137E-14 -.116E-14 -.142E-13   0.000E+00 0.000E+00 0.000E+00   -.385E-13 -.443E-13 0.348E-13
+ -----------------------------------------------------------------------------------------------
+   0.622E-12 -.312E-11 0.946E-12   0.478E-15 -.196E-14 -.355E-13   0.108E-18 -.217E-18 0.000E+00   -.134E-12 -.246E-12 0.359E-12
+ 
+ 
+ POSITION                                       TOTAL-FORCE (eV/Angst)
+ -----------------------------------------------------------------------------------
+      0.00000      0.00000      0.00000         0.000000      0.000000      0.000000
+      2.38196      2.38196     11.99286         0.000000      0.000000      0.287504
+      2.38196      2.38196      2.00830         0.000000      0.000000     -0.287504
+      2.38196      2.38196      4.81667         0.000000      0.000000     -0.041873
+      2.38196      2.38196      9.18448         0.000000      0.000000      0.041873
+      2.38196      0.00000      7.00058         0.000000      0.000000      0.000000
+      0.00000      2.38196      7.00058         0.000000      0.000000      0.000000
+ -----------------------------------------------------------------------------------
+    total drift:                                0.000000      0.000000      0.000000
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
+  ---------------------------------------------------
+  free  energy   TOTEN  =       -17.023581 eV
+
+  energy  without entropy=      -17.023581  energy(sigma->0) =      -17.023581
+ 
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+    POTLOK:  cpu time    0.62: real time    0.62
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+    WAVPRE:  cpu time    0.01: real time    0.02
+    FEWALD:  cpu time    0.00: real time    0.00
+    GENKIN:  cpu time    0.00: real time    0.00
+    ORTHCH:  cpu time    0.09: real time    0.09
+     LOOP+:  cpu time  112.79: real time  116.32
+
+
+----------------------------------------- Iteration    2(   1)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.57: real time    2.57
+ BZINTS: Fermi energy: -4.865464; 36.000000 electrons
+         Band energy:-358.225449;  BLOECHL correction: -0.010249
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.11: real time    0.12
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.31: real time    3.35
+
+ eigenvalue-minimisations  :  1030
+ total energy-change (2. order) :-0.7025640E+00  (-0.1061675E+01)
+ number of electron      36.0000153 magnetization      18.3464260
+ augmentation part        1.3350489 magnetization       0.9461828
+
+ Broyden mixing:
+  rms(total) = 0.11846E+01    rms(broyden)= 0.11813E+01
+  rms(prec ) = 0.14166E+01
+  weight for this iteration     100.00
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        18.03852971
+  Ewald energy   TEWEN  =      -984.05502549
+  -1/2 Hartree   DENC   =      -898.05035401
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       144.87635532
+  PAW double counting   =      1001.96774268    -1011.83189530
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -358.22544866
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.72647015 eV
+
+  energy without entropy =      -17.72647015  energy(sigma->0) =      -17.72647015
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    2(   2)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.19: real time    0.19
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.82: real time    2.82
+ BZINTS: Fermi energy: -5.413449; 36.000000 electrons
+         Band energy:-397.256194;  BLOECHL correction: -0.007476
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.57: real time    3.64
+
+ eigenvalue-minimisations  :  1156
+ total energy-change (2. order) :-0.4733438E+01  (-0.1026816E+01)
+ number of electron      36.0000203 magnetization      17.8163203
+ augmentation part        1.9883778 magnetization       9.1046599
+
+ Broyden mixing:
+  rms(total) = 0.34020E+01    rms(broyden)= 0.34002E+01
+  rms(prec ) = 0.40078E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.2094
+  0.2094
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        18.03852971
+  Ewald energy   TEWEN  =      -984.05502549
+  -1/2 Hartree   DENC   =      -866.66771909
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       147.59679636
+  PAW double counting   =       963.19708225     -972.86700390
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -397.25619399
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -22.45990855 eV
+
+  energy without entropy =      -22.45990855  energy(sigma->0) =      -22.45990855
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    2(   3)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.75: real time    2.76
+ BZINTS: Fermi energy: -5.090486; 36.000000 electrons
+         Band energy:-378.739671;  BLOECHL correction: -0.009843
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.49: real time    3.65
+
+ eigenvalue-minimisations  :  1130
+ total energy-change (2. order) : 0.3777521E+01  (-0.4779216E+00)
+ number of electron      36.0000201 magnetization      17.7113115
+ augmentation part        1.7613484 magnetization       5.6416491
+
+ Broyden mixing:
+  rms(total) = 0.16532E+01    rms(broyden)= 0.16513E+01
+  rms(prec ) = 0.20106E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.2835
+  0.2835  0.2835
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        18.03852971
+  Ewald energy   TEWEN  =      -984.05502549
+  -1/2 Hartree   DENC   =      -876.86924023
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.35747792
+  PAW double counting   =       986.51648608     -996.48457012
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -378.73967063
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -18.68238716 eV
+
+  energy without entropy =      -18.68238716  energy(sigma->0) =      -18.68238716
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    2(   4)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.17
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.76: real time    2.76
+ BZINTS: Fermi energy: -4.964814; 36.000000 electrons
+         Band energy:-373.740236;  BLOECHL correction: -0.008659
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.49: real time    3.57
+
+ eigenvalue-minimisations  :  1138
+ total energy-change (2. order) : 0.1105234E+01  (-0.1393925E+00)
+ number of electron      36.0000204 magnetization      17.7970026
+ augmentation part        1.7474868 magnetization       5.7185968
+
+ Broyden mixing:
+  rms(total) = 0.15081E+01    rms(broyden)= 0.15071E+01
+  rms(prec ) = 0.18454E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.3761
+  0.3391  0.3391  0.4502
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        18.03852971
+  Ewald energy   TEWEN  =      -984.05502549
+  -1/2 Hartree   DENC   =      -880.62876044
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.17863390
+  PAW double counting   =       991.91076976    -1001.83469045
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -373.74023605
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.57715346 eV
+
+  energy without entropy =      -17.57715346  energy(sigma->0) =      -17.57715346
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    2(   5)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.79: real time    2.79
+ BZINTS: Fermi energy: -5.031939; 36.028115 electrons
+         Band energy:-376.713959;  BLOECHL correction: -0.010674
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.52: real time    3.60
+
+ eigenvalue-minimisations  :  1152
+ total energy-change (2. order) :-0.1091270E+01  (-0.1677589E-01)
+ number of electron      36.0281357 magnetization      17.8802411
+ augmentation part        1.7644523 magnetization       5.8345705
+
+ Broyden mixing:
+  rms(total) = 0.15665E+01    rms(broyden)= 0.15665E+01
+  rms(prec ) = 0.19225E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.5684
+  0.7452  0.7452  0.3915  0.3915
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        18.03852971
+  Ewald energy   TEWEN  =      -984.05502549
+  -1/2 Hartree   DENC   =      -878.96347861
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.36775548
+  PAW double counting   =       989.54258841     -999.43845960
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -376.71395893
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -18.66842344 eV
+
+  energy without entropy =      -18.66842344  energy(sigma->0) =      -18.66842344
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    2(   6)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.77: real time    2.78
+ BZINTS: Fermi energy: -5.069482; 36.000000 electrons
+         Band energy:-378.540133;  BLOECHL correction: -0.009597
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.51: real time    3.59
+
+ eigenvalue-minimisations  :  1138
+ total energy-change (2. order) :-0.8019464E+00  (-0.1099611E+00)
+ number of electron      36.0000191 magnetization      17.5319243
+ augmentation part        1.7736963 magnetization       5.4609045
+
+ Broyden mixing:
+  rms(total) = 0.15465E+01    rms(broyden)= 0.15413E+01
+  rms(prec ) = 0.19146E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.5378
+  0.7476  0.7476  0.3912  0.3912  0.4115
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        18.03852971
+  Ewald energy   TEWEN  =      -984.05502549
+  -1/2 Hartree   DENC   =      -878.12953978
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.55903315
+  PAW double counting   =       988.70819759     -998.60505762
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -378.54013295
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -19.47036979 eV
+
+  energy without entropy =      -19.47036979  energy(sigma->0) =      -19.47036979
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    2(   7)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.80: real time    2.80
+ BZINTS: Fermi energy: -5.117622; 36.000000 electrons
+         Band energy:-371.230817;  BLOECHL correction: -0.008596
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.54: real time    3.61
+
+ eigenvalue-minimisations  :  1162
+ total energy-change (2. order) : 0.1312124E+01  (-0.1081728E+01)
+ number of electron      36.0000155 magnetization      17.6719633
+ augmentation part        1.3522028 magnetization       0.3243198
+
+ Broyden mixing:
+  rms(total) = 0.11897E+01    rms(broyden)= 0.11878E+01
+  rms(prec ) = 0.14392E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.5365
+  0.6011  0.8514  0.5009  0.5009  0.3824  0.3824
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        18.03852971
+  Ewald energy   TEWEN  =      -984.05502549
+  -1/2 Hartree   DENC   =      -883.58656076
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.01600010
+  PAW double counting   =       995.73019234    -1005.62418970
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -371.23081732
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -18.15824552 eV
+
+  energy without entropy =      -18.15824552  energy(sigma->0) =      -18.15824552
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    2(   8)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.86: real time    2.86
+ BZINTS: Fermi energy: -5.071443; 36.000000 electrons
+         Band energy:-376.973214;  BLOECHL correction:  0.000000
+       DOS:  cpu time    0.00: real time    0.00
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.59: real time    3.65
+
+ eigenvalue-minimisations  :  1184
+ total energy-change (2. order) : 0.3943685E+00  (-0.7206817E-01)
+ number of electron      36.0000179 magnetization      17.3050991
+ augmentation part        1.7835341 magnetization       5.2113600
+
+ Broyden mixing:
+  rms(total) = 0.15950E+01    rms(broyden)= 0.15872E+01
+  rms(prec ) = 0.19216E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.6697
+  1.6570  0.4691  0.7715  0.5550  0.5550  0.3400  0.3400
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        18.03852971
+  Ewald energy   TEWEN  =      -984.05502549
+  -1/2 Hartree   DENC   =      -877.52939988
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.10946003
+  PAW double counting   =       995.37374779    -1005.28160042
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -376.97321439
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.76387706 eV
+
+  energy without entropy =      -17.76387706  energy(sigma->0) =      -17.76387706
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    2(   9)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.82: real time    2.83
+ BZINTS: Fermi energy: -5.114899; 36.000000 electrons
+         Band energy:-372.726803;  BLOECHL correction: -0.019505
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.56: real time    3.65
+
+ eigenvalue-minimisations  :  1168
+ total energy-change (2. order) :-0.1484194E+01  (-0.1722201E+01)
+ number of electron      36.0000153 magnetization      17.2682563
+ augmentation part        1.3031621 magnetization       0.2984854
+
+ Broyden mixing:
+  rms(total) = 0.14118E+01    rms(broyden)= 0.14027E+01
+  rms(prec ) = 0.17927E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.6113
+  1.7706  0.4722  0.7741  0.5514  0.5514  0.3441  0.3441  0.0825
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        18.03852971
+  Ewald energy   TEWEN  =      -984.05502549
+  -1/2 Hartree   DENC   =      -883.02112054
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       142.93097081
+  PAW double counting   =      1004.83836480    -1014.80661283
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -372.72680268
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -19.24807061 eV
+
+  energy without entropy =      -19.24807061  energy(sigma->0) =      -19.24807061
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    2(  10)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.17
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.67: real time    2.70
+ BZINTS: Fermi energy: -5.135903; 36.000000 electrons
+         Band energy:-372.915908;  BLOECHL correction: -0.017642
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.40: real time    3.52
+
+ eigenvalue-minimisations  :  1056
+ total energy-change (2. order) :-0.1752628E+00  (-0.1120155E-01)
+ number of electron      36.0000153 magnetization      17.3382485
+ augmentation part        1.2938415 magnetization       0.3655885
+
+ Broyden mixing:
+  rms(total) = 0.14509E+01    rms(broyden)= 0.14504E+01
+  rms(prec ) = 0.18559E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.5844
+  1.7025  0.7699  0.5738  0.5738  0.4634  0.3482  0.3482  0.2494  0.2305
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        18.03852971
+  Ewald energy   TEWEN  =      -984.05502549
+  -1/2 Hartree   DENC   =      -882.81337159
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       142.74998896
+  PAW double counting   =      1005.31768614    -1015.29885911
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -372.91590763
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -19.42333342 eV
+
+  energy without entropy =      -19.42333342  energy(sigma->0) =      -19.42333342
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    2(  11)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.55: real time    2.55
+ BZINTS: Fermi energy: -5.080036; 36.000000 electrons
+         Band energy:-372.900692;  BLOECHL correction: -0.013929
+       DOS:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.18: real time    3.24
+
+ eigenvalue-minimisations  :  1020
+ total energy-change (2. order) :-0.5379443E-02  (-0.8575388E-02)
+ number of electron      36.0000153 magnetization      17.3382485
+ augmentation part        1.2938415 magnetization       0.3655885
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        18.03852971
+  Ewald energy   TEWEN  =      -984.05502549
+  -1/2 Hartree   DENC   =      -882.95325110
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       142.85385100
+  PAW double counting   =      1004.98700820    -1014.95275880
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -372.90069196
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -19.42871286 eV
+
+  energy without entropy =      -19.42871286  energy(sigma->0) =      -19.42871286
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+ average (electrostatic) potential at core
+  the test charge radii are     0.6991  0.7215  0.7089
+  (the norm of the test charge is              1.0000)
+       1 -63.7416       2 -80.1880       3 -80.1880       4 -72.6553       5 -72.6553
+       6 -72.5285       7 -72.5285
+ 
+ 
+ 
+ E-fermi :  -5.0800     XC(G=0):  -4.4979     alpha+bet : -1.9606
+
+
+ spin component 1
+
+ k-point   1 :       0.0000    0.0000    0.0000
+  band No.  band energies     occupation 
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+      2     -22.3875      1.00000
+      3     -17.7868      1.00000
+      4     -17.4493      1.00000
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+     41       7.4177      0.00000
+     42       7.9086      0.00000
+
+ k-point   2 :       0.3333    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -22.3953      1.00000
+      2     -22.3856      1.00000
+      3     -17.6688      1.00000
+      4     -17.4419      1.00000
+      5     -17.3068      1.00000
+      6     -17.2030      1.00000
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+     31       2.9965      0.00000
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+     39       6.8528      0.00000
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+     41       7.5251      0.00000
+     42       7.8261      0.00000
+
+ k-point   3 :       0.3333    0.3333    0.0000
+  band No.  band energies     occupation 
+      1     -22.3935      1.00000
+      2     -22.3837      1.00000
+      3     -17.5679      1.00000
+      4     -17.4347      1.00000
+      5     -17.3106      1.00000
+      6     -17.2899      1.00000
+      7     -15.4712      1.00000
+      8      -7.9112      1.00000
+      9      -7.7657      1.00000
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+     23      -5.6945      1.00000
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+     26      -5.2443      1.00000
+     27      -5.2397      1.00000
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+     39       5.6542      0.00000
+     40       6.7222      0.00000
+     41       6.7334      0.00000
+     42       6.7518      0.00000
+
+ k-point   4 :       0.0000    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -22.3974      1.00000
+      2     -22.3875      1.00000
+      3     -17.7868      1.00000
+      4     -17.4493      1.00000
+      5     -17.2315      1.00000
+      6     -17.1607      1.00000
+      7     -15.5031      1.00000
+      8      -7.8967      1.00000
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+     39       7.2526      0.00000
+     40       7.3160      0.00000
+     41       7.4295      0.00000
+     42       8.1832      0.00000
+
+ k-point   5 :       0.3333    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -22.3955      1.00000
+      2     -22.3859      1.00000
+      3     -17.6688      1.00000
+      4     -17.4420      1.00000
+      5     -17.3068      1.00000
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+      7     -15.4878      1.00000
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+     15      -6.7343      1.00000
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+     18      -6.3351      1.00000
+     19      -6.2574      1.00000
+     20      -6.0178      1.00000
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+     23      -5.6649      1.00000
+     24      -5.6607      1.00000
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+     40       7.2339      0.00000
+     41       7.5304      0.00000
+     42       7.6650      0.00000
+
+ k-point   6 :       0.3333    0.3333    0.3333
+  band No.  band energies     occupation 
+      1     -22.3931      1.00000
+      2     -22.3836      1.00000
+      3     -17.5678      1.00000
+      4     -17.4347      1.00000
+      5     -17.3105      1.00000
+      6     -17.2899      1.00000
+      7     -15.4712      1.00000
+      8      -7.9009      1.00000
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+     11      -7.4091      1.00000
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+     14      -6.8229      1.00000
+     15      -6.7720      1.00000
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+     22      -5.8332      1.00000
+     23      -5.7009      1.00000
+     24      -5.3278      1.00000
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+     26      -5.2448      1.00000
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+     28      -5.1479      1.00000
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+     30       2.9563      0.00000
+     31       3.6939      0.00000
+     32       3.9595      0.00000
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+     37       5.4851      0.00000
+     38       5.6391      0.00000
+     39       5.8409      0.00000
+     40       6.4306      0.00000
+     41       6.4962      0.00000
+     42       6.9551      0.00000
+
+ spin component 2
+
+ k-point   1 :       0.0000    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -19.4897      1.00000
+      2     -19.4759      1.00000
+      3     -13.3800      1.00000
+      4     -13.1387      1.00000
+      5     -12.8699      1.00000
+      6     -12.5804      1.00000
+      7     -12.4968      1.00000
+      8      -4.9340     -0.15832
+      9      -4.9340     -0.11339
+     10      -4.7941      0.00000
+     11      -4.7809      0.00000
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+     13      -4.7447      0.00000
+     14      -4.4938      0.00000
+     15      -4.3471      0.00000
+     16      -4.3471      0.00000
+     17      -2.5110      0.00000
+     18      -2.5110      0.00000
+     19      -2.2921      0.00000
+     20      -1.5951      0.00000
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+     22      -1.5525      0.00000
+     23      -1.2686      0.00000
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+     30       2.9273      0.00000
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+     32       4.9667      0.00000
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+     36       7.7657      0.00000
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+     39       8.1753      0.00000
+     40       8.3698      0.00000
+     41       8.3703      0.00000
+     42       8.5030      0.00000
+
+ k-point   2 :       0.3333    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -19.4858      1.00000
+      2     -19.4728      1.00000
+      3     -13.2087      1.00000
+      4     -13.1171      1.00000
+      5     -12.8557      1.00000
+      6     -12.7060      1.00000
+      7     -12.5464      1.00000
+      8      -5.0713      0.45831
+      9      -5.0541      0.00969
+     10      -4.8919      0.00000
+     11      -4.8393      0.00000
+     12      -4.7713      0.00000
+     13      -4.5992      0.00000
+     14      -4.4348      0.00000
+     15      -4.4231      0.00000
+     16      -4.3987      0.00000
+     17      -2.4501      0.00000
+     18      -2.4202      0.00000
+     19      -2.2609      0.00000
+     20      -1.9082      0.00000
+     21      -1.8333      0.00000
+     22      -1.5313      0.00000
+     23      -1.4142      0.00000
+     24      -1.4082      0.00000
+     25      -1.0153      0.00000
+     26      -0.8356      0.00000
+     27      -0.7771      0.00000
+     28      -0.7710      0.00000
+     29       2.3700      0.00000
+     30       3.5753      0.00000
+     31       4.2248      0.00000
+     32       4.6747      0.00000
+     33       5.3291      0.00000
+     34       6.0437      0.00000
+     35       6.3928      0.00000
+     36       6.7516      0.00000
+     37       7.6873      0.00000
+     38       8.0193      0.00000
+     39       8.0600      0.00000
+     40       8.3550      0.00000
+     41       8.4428      0.00000
+     42       8.9103      0.00000
+
+ k-point   3 :       0.3333    0.3333    0.0000
+  band No.  band energies     occupation 
+      1     -19.4828      1.00000
+      2     -19.4698      1.00000
+      3     -13.0930      1.00000
+      4     -13.0611      1.00000
+      5     -12.8422      1.00000
+      6     -12.7161      1.00000
+      7     -12.6663      1.00000
+      8      -5.1558      1.07958
+      9      -5.1005      0.78337
+     10      -4.9714      0.00000
+     11      -4.8675      0.00000
+     12      -4.8237      0.00000
+     13      -4.5811      0.00000
+     14      -4.4620      0.00000
+     15      -4.4304      0.00000
+     16      -4.3981      0.00000
+     17      -2.9311      0.00000
+     18      -2.3975      0.00000
+     19      -2.3733      0.00000
+     20      -2.2770      0.00000
+     21      -1.8182      0.00000
+     22      -1.6495      0.00000
+     23      -1.4600      0.00000
+     24      -0.9199      0.00000
+     25      -0.8098      0.00000
+     26      -0.7975      0.00000
+     27      -0.7515      0.00000
+     28      -0.6458      0.00000
+     29       3.1621      0.00000
+     30       4.2427      0.00000
+     31       4.6901      0.00000
+     32       4.9822      0.00000
+     33       5.5812      0.00000
+     34       5.6763      0.00000
+     35       6.0524      0.00000
+     36       6.4705      0.00000
+     37       7.0341      0.00000
+     38       7.0443      0.00000
+     39       7.1552      0.00000
+     40       8.0117      0.00000
+     41       8.3171      0.00000
+     42       8.3698      0.00000
+
+ k-point   4 :       0.0000    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -19.4895      1.00000
+      2     -19.4759      1.00000
+      3     -13.3799      1.00000
+      4     -13.1388      1.00000
+      5     -12.8698      1.00000
+      6     -12.5803      1.00000
+      7     -12.4969      1.00000
+      8      -4.9337     -0.15835
+      9      -4.9337     -0.11415
+     10      -4.7958      0.00000
+     11      -4.7811      0.00000
+     12      -4.7811      0.00000
+     13      -4.7435      0.00000
+     14      -4.4918      0.00000
+     15      -4.3468      0.00000
+     16      -4.3468      0.00000
+     17      -2.5113      0.00000
+     18      -2.5113      0.00000
+     19      -2.3010      0.00000
+     20      -1.5661      0.00000
+     21      -1.5523      0.00000
+     22      -1.5523      0.00000
+     23      -1.2684      0.00000
+     24      -1.2593      0.00000
+     25      -1.2593      0.00000
+     26      -0.9599      0.00000
+     27      -0.6723      0.00000
+     28      -0.6723      0.00000
+     29       1.4541      0.00000
+     30       2.8091      0.00000
+     31       4.0966      0.00000
+     32       4.7962      0.00000
+     33       4.9679      0.00000
+     34       6.2512      0.00000
+     35       7.2603      0.00000
+     36       7.5071      0.00000
+     37       8.0289      0.00000
+     38       8.0289      0.00000
+     39       8.1498      0.00000
+     40       8.3717      0.00000
+     41       8.3722      0.00000
+     42       8.7518      0.00000
+
+ k-point   5 :       0.3333    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -19.4861      1.00000
+      2     -19.4730      1.00000
+      3     -13.2086      1.00000
+      4     -13.1171      1.00000
+      5     -12.8559      1.00000
+      6     -12.7060      1.00000
+      7     -12.5465      1.00000
+      8      -5.0705      0.44781
+      9      -5.0544      0.01047
+     10      -4.8923      0.00000
+     11      -4.8398      0.00000
+     12      -4.7716      0.00000
+     13      -4.6036      0.00000
+     14      -4.4328      0.00000
+     15      -4.4237      0.00000
+     16      -4.3994      0.00000
+     17      -2.4462      0.00000
+     18      -2.4218      0.00000
+     19      -2.2611      0.00000
+     20      -1.9156      0.00000
+     21      -1.8280      0.00000
+     22      -1.5319      0.00000
+     23      -1.4143      0.00000
+     24      -1.4088      0.00000
+     25      -1.0230      0.00000
+     26      -0.8362      0.00000
+     27      -0.7807      0.00000
+     28      -0.7628      0.00000
+     29       2.3771      0.00000
+     30       3.5338      0.00000
+     31       4.2280      0.00000
+     32       4.8253      0.00000
+     33       5.2926      0.00000
+     34       5.6815      0.00000
+     35       6.7294      0.00000
+     36       6.9316      0.00000
+     37       7.5850      0.00000
+     38       7.6869      0.00000
+     39       8.1350      0.00000
+     40       8.3591      0.00000
+     41       8.4697      0.00000
+     42       8.9687      0.00000
+
+ k-point   6 :       0.3333    0.3333    0.3333
+  band No.  band energies     occupation 
+      1     -19.4824      1.00000
+      2     -19.4697      1.00000
+      3     -13.0930      1.00000
+      4     -13.0610      1.00000
+      5     -12.8422      1.00000
+      6     -12.7161      1.00000
+      7     -12.6661      1.00000
+      8      -5.1555      1.07822
+      9      -5.0997      0.77511
+     10      -4.9710      0.00000
+     11      -4.8670      0.00000
+     12      -4.8163      0.00000
+     13      -4.5930      0.00000
+     14      -4.4620      0.00000
+     15      -4.4271      0.00000
+     16      -4.3974      0.00000
+     17      -2.9236      0.00000
+     18      -2.3980      0.00000
+     19      -2.3721      0.00000
+     20      -2.2768      0.00000
+     21      -1.8178      0.00000
+     22      -1.6480      0.00000
+     23      -1.4736      0.00000
+     24      -0.9195      0.00000
+     25      -0.7982      0.00000
+     26      -0.7974      0.00000
+     27      -0.7531      0.00000
+     28      -0.6450      0.00000
+     29       3.1622      0.00000
+     30       4.2350      0.00000
+     31       4.6907      0.00000
+     32       4.9858      0.00000
+     33       5.5770      0.00000
+     34       5.7337      0.00000
+     35       6.0203      0.00000
+     36       6.5524      0.00000
+     37       6.7639      0.00000
+     38       7.1282      0.00000
+     39       7.2262      0.00000
+     40       8.0492      0.00000
+     41       8.0725      0.00000
+     42       8.5213      0.00000
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+ soft charge-density along one line, spin component           1
+         0         1         2         3         4         5         6         7         8         9
+ total charge-density along one line
+ 
+ soft charge-density along one line, spin component           2
+         0         1         2         3         4         5         6         7         8         9
+ total charge-density along one line
+ 
+ pseudopotential strength for first ion, spin component:           1
+ 10.667   0.035   0.000   0.000   0.000   0.000   0.000   0.000
+  0.035  -0.001   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000  -4.709   0.000   0.000  -0.025   0.000   0.000
+  0.000   0.000   0.000  -4.717   0.000   0.000  -0.023   0.000
+  0.000   0.000   0.000   0.000  -4.709   0.000   0.000  -0.025
+  0.000   0.000  -0.025   0.000   0.000  -0.779   0.000   0.000
+  0.000   0.000   0.000  -0.023   0.000   0.000  -0.779   0.000
+  0.000   0.000   0.000   0.000  -0.025   0.000   0.000  -0.779
+ pseudopotential strength for first ion, spin component:           2
+ 10.208   0.012   0.000   0.000   0.000   0.000   0.000   0.000
+  0.012  -0.001   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000  -4.718   0.000   0.000   0.077   0.000   0.000
+  0.000   0.000   0.000  -4.633   0.000   0.000   0.061   0.000
+  0.000   0.000   0.000   0.000  -4.718   0.000   0.000   0.077
+  0.000   0.000   0.077   0.000   0.000  -0.770   0.000   0.000
+  0.000   0.000   0.000   0.061   0.000   0.000  -0.769   0.000
+  0.000   0.000   0.000   0.000   0.077   0.000   0.000  -0.770
+ total augmentation occupancy for first ion, spin component:           1
+  2.112   0.297   0.000   0.000   0.000   0.000   0.000   0.000
+  0.297   0.049   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   1.443   0.000   0.000  -0.017   0.000   0.000
+  0.000   0.000   0.000   1.162   0.000   0.000  -0.018   0.000
+  0.000   0.000   0.000   0.000   1.443   0.000   0.000  -0.017
+  0.000   0.000  -0.017   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000  -0.018   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000   0.000  -0.017   0.000   0.000   0.000
+ total augmentation occupancy for first ion, spin component:           2
+  0.038  -0.088   0.000   0.000   0.000   0.000   0.000   0.000
+ -0.088  -0.024   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.861   0.000   0.000  -0.018   0.000   0.000
+  0.000   0.000   0.000   1.151   0.000   0.000  -0.019   0.000
+  0.000   0.000   0.000   0.000   0.861   0.000   0.000  -0.018
+  0.000   0.000  -0.018   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000  -0.019   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000   0.000  -0.018   0.000   0.000   0.000
+
+
+------------------------ aborting loop because EDIFF is reached ----------------------------------------
+
+
+ 
+
+
+ total charge     
+ 
+# of ion     s       p       d       tot
+----------------------------------------
+  1        1.095   1.735   0.000   2.830
+  2        1.641   2.395   0.000   4.036
+  3        1.641   2.395   0.000   4.036
+  4        1.373   1.877   0.000   3.250
+  5        1.373   1.877   0.000   3.250
+  6        1.374   1.873   0.000   3.247
+  7        1.373   1.877   0.000   3.250
+------------------------------------------------
+tot        9.870  14.029   0.000  23.899
+ 
+
+
+ magnetization (x)
+ 
+# of ion     s       p       d       tot
+----------------------------------------
+  1        0.031   1.416   0.000   1.447
+  2        0.015   1.997   0.000   2.012
+  3        0.015   1.997   0.000   2.012
+  4        0.044   1.874   0.000   1.918
+  5        0.044   1.874   0.000   1.918
+  6        0.043   1.873   0.000   1.916
+  7        0.044   1.876   0.000   1.920
+------------------------------------------------
+tot        0.235  12.907   0.000  13.142
+ 
+    CHARGE:  cpu time    0.10: real time    0.10
+    FORLOC:  cpu time    0.01: real time    0.01
+    FORNL :  cpu time    0.40: real time    0.40
+    STRESS:  cpu time    0.54: real time    0.54
+    FORHAR:  cpu time    0.03: real time    0.03
+    MIXING:  cpu time    0.01: real time    0.01
+
+  FORCE on cell =-STRESS in cart. coord.  units (eV):
+  Direction    XX          YY          ZZ          XY          YZ          ZX
+  --------------------------------------------------------------------------------------
+  Alpha Z    18.03853    18.03853    18.03853
+  Ewald    -336.29614  -336.29614  -311.46391     0.00000     0.00000     0.00000
+  Hartree   282.32754   282.32754   249.06359     0.00000     0.00000     0.00000
+  E(xc)    -152.57871  -152.57871  -152.63603     0.00000     0.00000     0.00000
+  Local    -438.47603  -438.47603  -424.07760     0.00000     0.00000     0.00000
+  n-local   -62.03900   -61.78739   -60.57257     0.64249     0.00221     0.01329
+  augment    11.16695    11.16695    10.39581     0.00000     0.00000     0.00000
+  Kinetic   665.42889   665.10943   659.97426    -2.17423    -0.00569    -0.04891
+  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+  -------------------------------------------------------------------------------------
+  Total     -12.46189   -12.46189   -11.27793     0.00000     0.00000     0.00000
+  in kB     -65.48172   -65.48172   -59.26053     0.00000     0.00000     0.00000
+  external pressure =      -63.41 kB  Pullay stress =        0.00 kB
+
+
+ VOLUME and BASIS-vectors are now :
+ -----------------------------------------------------------------------------
+  energy-cutoff  :      400.00
+  volume of cell :      304.91
+      direct lattice vectors                 reciprocal lattice vectors
+     4.688637181  0.000000000  0.000000000     0.213281592  0.000000000  0.000000000
+     0.000000000  4.688637181  0.000000000     0.000000000  0.213281592  0.000000000
+     0.000000000  0.000000000 13.870148695     0.000000000  0.000000000  0.072097280
+
+  length of vectors
+     4.688637181  4.688637181 13.870148695     0.213281592  0.213281592  0.072097280
+
+
+ FORCES acting on ions
+    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
+ -----------------------------------------------------------------------------------------------
+   0.143E-15 0.835E-16 -.299E-14   0.116E-14 0.235E-15 -.548E-14   0.369E-29 0.422E-29 0.000E+00   -.948E-14 0.142E-13 0.312E-13
+   0.162E-12 -.303E-12 -.234E+02   -.905E-15 0.717E-15 0.362E+02   0.599E-21 -.303E-19 0.106E+01   0.125E-11 -.136E-12 -.137E+02
+   0.147E-12 0.121E-12 0.234E+02   -.859E-15 -.527E-15 -.362E+02   -.599E-21 0.303E-19 -.106E+01   -.133E-11 -.322E-12 0.137E+02
+   0.801E-13 -.206E-12 0.552E+02   0.183E-14 0.958E-15 -.535E+02   0.528E-21 0.604E-21 -.200E+00   -.692E-12 -.274E-12 -.150E+01
+   0.824E-13 -.788E-13 -.552E+02   0.159E-14 -.349E-15 0.535E+02   -.528E-21 -.738E-20 0.200E+00   0.646E-12 0.236E-12 0.150E+01
+   0.805E-13 0.726E-15 -.899E-13   0.292E-14 -.191E-14 0.924E-21   -.318E-27 -.363E-27 0.000E+00   -.221E-13 -.144E-12 -.853E-14
+   0.506E-15 0.836E-13 0.238E-12   -.541E-14 0.271E-15 0.213E-13   -.328E-27 -.375E-27 0.000E+00   -.252E-13 0.331E-14 0.448E-13
+ -----------------------------------------------------------------------------------------------
+   0.553E-12 -.382E-12 0.164E-11   0.319E-15 -.603E-15 -.355E-13   -.489E-27 -.678E-20 -.555E-16   -.179E-12 -.622E-12 0.300E-12
+ 
+ 
+ POSITION                                       TOTAL-FORCE (eV/Angst)
+ -----------------------------------------------------------------------------------
+      0.00000      0.00000      0.00000         0.000000      0.000000      0.000000
+      2.34432      2.34432     11.89438         0.000000      0.000000      0.175868
+      2.34432      2.34432      1.97576         0.000000      0.000000     -0.175868
+      2.34432      2.34432      4.76960         0.000000      0.000000     -0.007754
+      2.34432      2.34432      9.10055         0.000000      0.000000      0.007754
+      2.34432      0.00000      6.93507         0.000000      0.000000      0.000000
+      0.00000      2.34432      6.93507         0.000000      0.000000      0.000000
+ -----------------------------------------------------------------------------------
+    total drift:                                0.000000      0.000000      0.000000
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
+  ---------------------------------------------------
+  free  energy   TOTEN  =       -19.428713 eV
+
+  energy  without entropy=      -19.428713  energy(sigma->0) =      -19.428713
+ 
+ d Force = 0.6466109E-02[ 0.486E-02, 0.807E-02]  d Energy = 0.2405132E+01-0.240E+01
+ d Force = 0.1219400E+01[ 0.121E+01, 0.123E+01]  d Ewald  = 0.1477674E+02-0.136E+02
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+    POTLOK:  cpu time    0.61: real time    0.62
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+ Steepest descent step on ions:
+ trial-energy change:   -2.405132  1 .order   -0.298830   -0.093330   -0.504331
+  (g-gl).g = 0.933E-01      g.g   = 0.933E-01  gl.gl    = 0.000E+00
+ g(Force)  = 0.814E-02   g(Stress)= 0.852E-01 ortho     = 0.000E+00
+ gamma     =   0.00000
+ trial     =   1.00000
+ opt step  =   4.00000  (harmonic =   4.00000) maximal distance =0.05547973
+ next E    =   -20.684903   (d E  =  -3.66132)
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+    WAVPRE:  cpu time    0.02: real time    0.02
+    FEWALD:  cpu time    0.00: real time    0.00
+    GENKIN:  cpu time    0.00: real time    0.00
+    ORTHCH:  cpu time    0.09: real time    0.09
+     LOOP+:  cpu time   40.40: real time   41.56
+
+
+----------------------------------------- Iteration    3(   1)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.45
+     EDDAV:  cpu time    2.61: real time    2.61
+ BZINTS: Fermi energy: -3.212262; 36.000000 electrons
+         Band energy:-305.666106;  BLOECHL correction: -0.044114
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.35: real time    3.44
+
+ eigenvalue-minimisations  :  1054
+ total energy-change (2. order) :-0.4854805E+01  (-0.7795202E+01)
+ number of electron      35.9999962 magnetization      17.6867645
+ augmentation part        1.0935664 magnetization       1.9813757
+
+ Broyden mixing:
+  rms(total) = 0.20969E+01    rms(broyden)= 0.20955E+01
+  rms(prec ) = 0.27020E+01
+  weight for this iteration     100.00
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        20.49127825
+  Ewald energy   TEWEN  =     -1030.57081912
+  -1/2 Hartree   DENC   =      -917.21698056
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       149.05875703
+  PAW double counting   =      1004.37388877    -1014.30178213
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -305.66610644
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -24.27813859 eV
+
+  energy without entropy =      -24.27813859  energy(sigma->0) =      -24.27813859
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    3(   2)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.45
+     EDDAV:  cpu time    2.93: real time    2.93
+ BZINTS: Fermi energy: -5.411669; 36.000000 electrons
+         Band energy:-382.783840;  BLOECHL correction: -0.008149
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.66: real time    3.73
+
+ eigenvalue-minimisations  :  1220
+ total energy-change (2. order) : 0.4415327E+01  (-0.6951790E+01)
+ number of electron      35.9999878 magnetization      16.8605383
+ augmentation part        1.8889515 magnetization       7.8294601
+
+ Broyden mixing:
+  rms(total) = 0.31671E+01    rms(broyden)= 0.31647E+01
+  rms(prec ) = 0.37717E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.2915
+  0.2915
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        20.49127825
+  Ewald energy   TEWEN  =     -1030.57081912
+  -1/2 Hartree   DENC   =      -835.79492346
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       148.81657403
+  PAW double counting   =       923.62003329     -933.19474060
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -382.78383970
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -19.86281170 eV
+
+  energy without entropy =      -19.86281170  energy(sigma->0) =      -19.86281170
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    3(   3)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.17
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.70: real time    2.70
+ BZINTS: Fermi energy: -3.331463; 36.000000 electrons
+         Band energy:-360.298435;  BLOECHL correction: -0.003659
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.43: real time    3.50
+
+ eigenvalue-minimisations  :  1094
+ total energy-change (2. order) : 0.6038828E+01  (-0.1711452E+01)
+ number of electron      35.9999936 magnetization      16.6115592
+ augmentation part        1.6070824 magnetization       4.5939801
+
+ Broyden mixing:
+  rms(total) = 0.12717E+01    rms(broyden)= 0.12673E+01
+  rms(prec ) = 0.18993E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.4517
+  0.4517  0.4517
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        20.49127825
+  Ewald energy   TEWEN  =     -1030.57081912
+  -1/2 Hartree   DENC   =      -849.75818544
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       146.77230301
+  PAW double counting   =       962.38590429     -972.39965495
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -360.29843545
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -13.82398380 eV
+
+  energy without entropy =      -13.82398380  energy(sigma->0) =      -13.82398380
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    3(   4)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.17
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.95: real time    2.95
+ BZINTS: Fermi energy: -3.724290; 36.000000 electrons
+         Band energy:-353.203504;  BLOECHL correction: -0.004878
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.68: real time    3.85
+
+ eigenvalue-minimisations  :  1232
+ total energy-change (2. order) : 0.1710611E+01  (-0.8084314E+00)
+ number of electron      35.9999930 magnetization      16.4862020
+ augmentation part        1.6950774 magnetization       4.3667283
+
+ Broyden mixing:
+  rms(total) = 0.12080E+01    rms(broyden)= 0.12073E+01
+  rms(prec ) = 0.15886E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.5193
+  0.6300  0.6300  0.2979
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        20.49127825
+  Ewald energy   TEWEN  =     -1030.57081912
+  -1/2 Hartree   DENC   =      -854.24830097
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       145.77041582
+  PAW double counting   =       973.49083134     -983.39689941
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -353.20350391
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -12.11337240 eV
+
+  energy without entropy =      -12.11337240  energy(sigma->0) =      -12.11337240
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    3(   5)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.17
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    3.12: real time    3.12
+ BZINTS: Fermi energy: -4.115653; 36.000000 electrons
+         Band energy:-350.018498;  BLOECHL correction: -0.005242
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.85: real time    3.92
+
+ eigenvalue-minimisations  :  1318
+ total energy-change (2. order) :-0.5010405E+01  (-0.1009022E+01)
+ number of electron      35.9999957 magnetization      16.6046101
+ augmentation part        1.2280929 magnetization      -0.7175844
+
+ Broyden mixing:
+  rms(total) = 0.18202E+01    rms(broyden)= 0.18187E+01
+  rms(prec ) = 0.22116E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.4731
+  0.6509  0.4870  0.4870  0.2674
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        20.49127825
+  Ewald energy   TEWEN  =     -1030.57081912
+  -1/2 Hartree   DENC   =      -861.30416416
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       144.62619787
+  PAW double counting   =       988.74813622     -998.64953370
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -350.01849822
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.12377726 eV
+
+  energy without entropy =      -17.12377726  energy(sigma->0) =      -17.12377726
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    3(   6)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.17
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.92: real time    2.92
+ BZINTS: Fermi energy: -4.186724; 36.000000 electrons
+         Band energy:-359.006696;  BLOECHL correction: -0.016826
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.66: real time    3.74
+
+ eigenvalue-minimisations  :  1220
+ total energy-change (2. order) : 0.4207704E+00  (-0.2182945E+00)
+ number of electron      35.9999970 magnetization      16.6324079
+ augmentation part        1.4536778 magnetization       1.0394409
+
+ Broyden mixing:
+  rms(total) = 0.83618E+00    rms(broyden)= 0.82990E+00
+  rms(prec ) = 0.89455E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.3877
+  0.6555  0.4858  0.4858  0.2680  0.0433
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        20.49127825
+  Ewald energy   TEWEN  =     -1030.57081912
+  -1/2 Hartree   DENC   =      -850.59639343
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.23691125
+  PAW double counting   =       983.42710524     -993.23801853
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -359.00669614
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -16.70300688 eV
+
+  energy without entropy =      -16.70300688  energy(sigma->0) =      -16.70300688
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    3(   7)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.42: real time    0.45
+     EDDAV:  cpu time    2.88: real time    2.88
+ BZINTS: Fermi energy: -4.129687; 36.000000 electrons
+         Band energy:-359.958870;  BLOECHL correction: -0.017379
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.60: real time    3.69
+
+ eigenvalue-minimisations  :  1200
+ total energy-change (2. order) :-0.7690371E-01  (-0.2336298E-01)
+ number of electron      35.9999970 magnetization      16.8765626
+ augmentation part        1.4674941 magnetization       1.2875435
+
+ Broyden mixing:
+  rms(total) = 0.78585E+00    rms(broyden)= 0.78552E+00
+  rms(prec ) = 0.84660E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.5708
+  0.7843  0.7843  0.6019  0.4952  0.4952  0.2642
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        20.49127825
+  Ewald energy   TEWEN  =     -1030.57081912
+  -1/2 Hartree   DENC   =      -849.71158591
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.22054069
+  PAW double counting   =       983.00925252     -992.81333285
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -359.95886977
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -16.77991059 eV
+
+  energy without entropy =      -16.77991059  energy(sigma->0) =      -16.77991059
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    3(   8)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.73: real time    2.73
+ BZINTS: Fermi energy: -4.100366; 36.000000 electrons
+         Band energy:-364.967614;  BLOECHL correction: -0.012012
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.47: real time    3.55
+
+ eigenvalue-minimisations  :  1124
+ total energy-change (2. order) :-0.1494470E+01  (-0.2930598E-01)
+ number of electron      35.9999929 magnetization      16.8351664
+ augmentation part        1.7272116 magnetization       4.7863197
+
+ Broyden mixing:
+  rms(total) = 0.12676E+01    rms(broyden)= 0.12652E+01
+  rms(prec ) = 0.16384E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.6429
+  1.5907  0.4803  0.4803  0.6479  0.5205  0.5205  0.2602
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        20.49127825
+  Ewald energy   TEWEN  =     -1030.57081912
+  -1/2 Hartree   DENC   =      -846.10816419
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.13616788
+  PAW double counting   =       983.05734589     -992.86620050
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -364.96761393
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -18.27438012 eV
+
+  energy without entropy =      -18.27438012  energy(sigma->0) =      -18.27438012
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    3(   9)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.79: real time    2.79
+ BZINTS: Fermi energy: -4.650761; 36.000000 electrons
+         Band energy:-366.362994;  BLOECHL correction: -0.020422
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.52: real time    3.60
+
+ eigenvalue-minimisations  :  1152
+ total energy-change (2. order) : 0.7414976E+00  (-0.3820255E-01)
+ number of electron      35.9999967 magnetization      16.9522227
+ augmentation part        1.4574580 magnetization       0.7038984
+
+ Broyden mixing:
+  rms(total) = 0.73347E+00    rms(broyden)= 0.73141E+00
+  rms(prec ) = 0.83712E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.5903
+  1.3826  0.4992  0.4992  0.5514  0.5514  0.2591  0.5256  0.4543
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        20.49127825
+  Ewald energy   TEWEN  =     -1030.57081912
+  -1/2 Hartree   DENC   =      -843.75372883
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.00910882
+  PAW double counting   =       995.09793223    -1004.99728555
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -366.36299388
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.53288248 eV
+
+  energy without entropy =      -17.53288248  energy(sigma->0) =      -17.53288248
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    3(  10)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.17
+    SETDIJ:  cpu time    0.44: real time    0.45
+     EDDAV:  cpu time    2.70: real time    2.70
+ BZINTS: Fermi energy: -4.609780; 36.000000 electrons
+         Band energy:-365.868784;  BLOECHL correction: -0.018334
+       DOS:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.32: real time    3.40
+
+ eigenvalue-minimisations  :  1108
+ total energy-change (2. order) :-0.8396711E-03  (-0.5902281E-02)
+ number of electron      35.9999967 magnetization      16.9522227
+ augmentation part        1.4574580 magnetization       0.7038984
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        20.49127825
+  Ewald energy   TEWEN  =     -1030.57081912
+  -1/2 Hartree   DENC   =      -844.24546174
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.02979801
+  PAW double counting   =       997.06163748    -1006.98499653
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -365.86878410
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.53372215 eV
+
+  energy without entropy =      -17.53372215  energy(sigma->0) =      -17.53372215
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+ average (electrostatic) potential at core
+  the test charge radii are     0.6991  0.7215  0.7089
+  (the norm of the test charge is              1.0000)
+       1 -61.0650       2 -79.9898       3 -79.9898       4 -72.6373       5 -72.6373
+       6 -73.1266       7 -73.1266
+ 
+ 
+ 
+ E-fermi :  -4.6098     XC(G=0):  -4.9884     alpha+bet : -2.2272
+
+
+ spin component 1
+
+ k-point   1 :       0.0000    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -22.2215      1.00000
+      2     -22.2073      1.00000
+      3     -18.3659      1.00000
+      4     -17.6330      1.00000
+      5     -17.4782      1.00000
+      6     -17.3264      1.00000
+      7     -13.3360      1.00000
+      8      -7.5446      1.00000
+      9      -7.5446      1.00000
+     10      -7.5115      1.00000
+     11      -7.5115      1.00000
+     12      -7.0448      1.00000
+     13      -7.0097      1.00000
+     14      -7.0086      1.00000
+     15      -7.0086      1.00000
+     16      -6.5367      1.00000
+     17      -6.0574      1.00000
+     18      -5.8502      1.00000
+     19      -5.8502      1.00000
+     20      -5.8261      1.00000
+     21      -5.8261      1.00000
+     22      -5.5820      1.00000
+     23      -5.4322      1.00000
+     24      -5.4322      1.00000
+     25      -5.2266      1.00000
+     26      -4.8265      1.00000
+     27      -4.4456     -0.22227
+     28      -4.4456     -0.02769
+     29       1.4366      0.00000
+     30       2.2221      0.00000
+     31       2.8130      0.00000
+     32       4.7942      0.00000
+     33       4.8217      0.00000
+     34       5.8319      0.00000
+     35       6.7482      0.00000
+     36       7.1706      0.00000
+     37       7.1964      0.00000
+     38       7.5323      0.00000
+     39       8.5568      0.00000
+     40       8.5569      0.00000
+     41       8.7500      0.00000
+     42       8.7906      0.00000
+
+ k-point   2 :       0.3333    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -22.2176      1.00000
+      2     -22.2038      1.00000
+      3     -18.1850      1.00000
+      4     -17.7983      1.00000
+      5     -17.4650      1.00000
+      6     -17.3442      1.00000
+      7     -13.3076      1.00000
+      8      -7.6023      1.00000
+      9      -7.5986      1.00000
+     10      -7.5282      1.00000
+     11      -7.5046      1.00000
+     12      -7.1312      1.00000
+     13      -6.9724      1.00000
+     14      -6.7600      1.00000
+     15      -6.7479      1.00000
+     16      -6.7036      1.00000
+     17      -6.3258      1.00000
+     18      -6.2032      1.00000
+     19      -6.1023      1.00000
+     20      -5.8382      1.00000
+     21      -5.8125      1.00000
+     22      -5.4973      1.00000
+     23      -5.4664      1.00000
+     24      -5.2762      1.00000
+     25      -5.2445      1.00000
+     26      -4.7686      1.00000
+     27      -4.6677      0.92453
+     28      -4.4407     -0.08308
+     29       2.4207      0.00000
+     30       2.9785      0.00000
+     31       3.7483      0.00000
+     32       4.6551      0.00000
+     33       4.9642      0.00000
+     34       5.4331      0.00000
+     35       5.5177      0.00000
+     36       5.9690      0.00000
+     37       7.1439      0.00000
+     38       7.3364      0.00000
+     39       7.7037      0.00000
+     40       8.5865      0.00000
+     41       8.6210      0.00000
+     42       8.7256      0.00000
+
+ k-point   3 :       0.3333    0.3333    0.0000
+  band No.  band energies     occupation 
+      1     -22.2142      1.00000
+      2     -22.2006      1.00000
+      3     -18.0545      1.00000
+      4     -17.8484      1.00000
+      5     -17.4523      1.00000
+      6     -17.4079      1.00000
+      7     -13.2743      1.00000
+      8      -7.6234      1.00000
+      9      -7.6055      1.00000
+     10      -7.5853      1.00000
+     11      -7.5738      1.00000
+     12      -7.4409      1.00000
+     13      -6.9714      1.00000
+     14      -6.9182      1.00000
+     15      -6.7766      1.00000
+     16      -6.6945      1.00000
+     17      -6.6516      1.00000
+     18      -6.1550      1.00000
+     19      -5.8858      1.00000
+     20      -5.6809      1.00000
+     21      -5.6199      1.00000
+     22      -5.5248      1.00000
+     23      -5.4384      1.00000
+     24      -5.2728      1.00000
+     25      -5.2115      1.00000
+     26      -4.7585      1.00000
+     27      -4.6502      0.94803
+     28      -4.6427      0.52301
+     29       3.2398      0.00000
+     30       3.6491      0.00000
+     31       4.4784      0.00000
+     32       5.1623      0.00000
+     33       5.3669      0.00000
+     34       5.4117      0.00000
+     35       5.6015      0.00000
+     36       6.1018      0.00000
+     37       6.4198      0.00000
+     38       6.5646      0.00000
+     39       6.8216      0.00000
+     40       7.4663      0.00000
+     41       7.4811      0.00000
+     42       8.5484      0.00000
+
+ k-point   4 :       0.0000    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -22.2214      1.00000
+      2     -22.2072      1.00000
+      3     -18.3658      1.00000
+      4     -17.6330      1.00000
+      5     -17.4782      1.00000
+      6     -17.3263      1.00000
+      7     -13.3360      1.00000
+      8      -7.5436      1.00000
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+     10      -7.5123      1.00000
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+     12      -7.1080      1.00000
+     13      -7.0087      1.00000
+     14      -7.0087      1.00000
+     15      -6.9112      1.00000
+     16      -6.5836      1.00000
+     17      -6.0573      1.00000
+     18      -5.8501      1.00000
+     19      -5.8501      1.00000
+     20      -5.8261      1.00000
+     21      -5.8261      1.00000
+     22      -5.5544      1.00000
+     23      -5.4318      1.00000
+     24      -5.4318      1.00000
+     25      -5.2372      1.00000
+     26      -4.8308      1.00000
+     27      -4.4455     -0.22238
+     28      -4.4455     -0.02771
+     29       1.5253      0.00000
+     30       1.9507      0.00000
+     31       3.2419      0.00000
+     32       4.0000      0.00000
+     33       5.6175      0.00000
+     34       5.8448      0.00000
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+     38       7.8633      0.00000
+     39       8.5971      0.00000
+     40       8.5984      0.00000
+     41       9.1086      0.00000
+     42       9.9449      0.00000
+
+ k-point   5 :       0.3333    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -22.2176      1.00000
+      2     -22.2040      1.00000
+      3     -18.1850      1.00000
+      4     -17.7983      1.00000
+      5     -17.4651      1.00000
+      6     -17.3442      1.00000
+      7     -13.3076      1.00000
+      8      -7.6020      1.00000
+      9      -7.5992      1.00000
+     10      -7.5280      1.00000
+     11      -7.5054      1.00000
+     12      -7.1022      1.00000
+     13      -7.0227      1.00000
+     14      -6.7602      1.00000
+     15      -6.7391      1.00000
+     16      -6.6845      1.00000
+     17      -6.3494      1.00000
+     18      -6.1842      1.00000
+     19      -6.1024      1.00000
+     20      -5.8368      1.00000
+     21      -5.8129      1.00000
+     22      -5.5053      1.00000
+     23      -5.4666      1.00000
+     24      -5.2818      1.00000
+     25      -5.2369      1.00000
+     26      -4.7689      1.00000
+     27      -4.6677      0.92465
+     28      -4.4408     -0.08303
+     29       2.4847      0.00000
+     30       2.8147      0.00000
+     31       4.0463      0.00000
+     32       4.6062      0.00000
+     33       4.7380      0.00000
+     34       5.0620      0.00000
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+     37       6.6734      0.00000
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+     42       8.7136      0.00000
+
+ k-point   6 :       0.3333    0.3333    0.3333
+  band No.  band energies     occupation 
+      1     -22.2140      1.00000
+      2     -22.2005      1.00000
+      3     -18.0544      1.00000
+      4     -17.8484      1.00000
+      5     -17.4524      1.00000
+      6     -17.4078      1.00000
+      7     -13.2743      1.00000
+      8      -7.6239      1.00000
+      9      -7.6054      1.00000
+     10      -7.5854      1.00000
+     11      -7.5727      1.00000
+     12      -7.4271      1.00000
+     13      -7.0102      1.00000
+     14      -6.9488      1.00000
+     15      -6.7370      1.00000
+     16      -6.6663      1.00000
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+     18      -6.1546      1.00000
+     19      -5.8829      1.00000
+     20      -5.6804      1.00000
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+     24      -5.2927      1.00000
+     25      -5.1827      1.00000
+     26      -4.7582      1.00000
+     27      -4.6510      0.94870
+     28      -4.6425      0.52219
+     29       3.2815      0.00000
+     30       3.5554      0.00000
+     31       4.6489      0.00000
+     32       5.1367      0.00000
+     33       5.1898      0.00000
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+     37       6.2818      0.00000
+     38       6.5707      0.00000
+     39       6.9908      0.00000
+     40       7.2205      0.00000
+     41       7.2530      0.00000
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+
+ spin component 2
+
+ k-point   1 :       0.0000    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -19.1145      1.00000
+      2     -19.0920      1.00000
+      3     -13.9556      1.00000
+      4     -12.9709      1.00000
+      5     -12.8800      1.00000
+      6     -12.7077      1.00000
+      7     -11.2979      1.00000
+      8      -4.9121      1.00000
+      9      -4.7014      1.00000
+     10      -4.2409      0.00000
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+     12      -4.1473      0.00000
+     13      -4.1473      0.00000
+     14      -3.0125      0.00000
+     15      -3.0125      0.00000
+     16      -2.8210      0.00000
+     17      -2.6643      0.00000
+     18      -2.6306      0.00000
+     19      -2.6306      0.00000
+     20      -1.7230      0.00000
+     21      -1.6516      0.00000
+     22      -1.6126      0.00000
+     23      -1.6126      0.00000
+     24      -1.4407      0.00000
+     25      -1.4407      0.00000
+     26      -1.0335      0.00000
+     27      -0.8600      0.00000
+     28      -0.8600      0.00000
+     29       2.1643      0.00000
+     30       3.1205      0.00000
+     31       3.8094      0.00000
+     32       5.7335      0.00000
+     33       5.9115      0.00000
+     34       6.2775      0.00000
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+     38       8.5164      0.00000
+     39       9.4631      0.00000
+     40       9.4631      0.00000
+     41       9.8724      0.00000
+     42      10.9075      0.00000
+
+ k-point   2 :       0.3333    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -19.1081      1.00000
+      2     -19.0867      1.00000
+      3     -13.7080      1.00000
+      4     -13.1292      1.00000
+      5     -12.9455      1.00000
+      6     -12.7157      1.00000
+      7     -11.2596      1.00000
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+     10      -4.3703      0.00000
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+     13      -4.1325      0.00000
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+     19      -2.4898      0.00000
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+     21      -2.1109      0.00000
+     22      -1.7552      0.00000
+     23      -1.6399      0.00000
+     24      -1.5802      0.00000
+     25      -1.1921      0.00000
+     26      -0.9696      0.00000
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+     29       3.2770      0.00000
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+     31       4.8385      0.00000
+     32       5.4831      0.00000
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+     38       8.6618      0.00000
+     39       9.0346      0.00000
+     40       9.3166      0.00000
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+     42       9.5762      0.00000
+
+ k-point   3 :       0.3333    0.3333    0.0000
+  band No.  band energies     occupation 
+      1     -19.1026      1.00000
+      2     -19.0817      1.00000
+      3     -13.5121      1.00000
+      4     -13.1844      1.00000
+      5     -12.9213      1.00000
+      6     -12.8274      1.00000
+      7     -11.2148      1.00000
+      8      -4.9424      1.00000
+      9      -4.6568      1.00000
+     10      -4.4499      0.00000
+     11      -4.3773      0.00000
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+     13      -4.2726      0.00000
+     14      -3.4766      0.00000
+     15      -3.0005      0.00000
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+     19      -2.7039      0.00000
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+     21      -2.0012      0.00000
+     22      -1.7688      0.00000
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+     27      -0.8704      0.00000
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+     31       5.4329      0.00000
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+
+ k-point   4 :       0.0000    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -19.1144      1.00000
+      2     -19.0920      1.00000
+      3     -13.9555      1.00000
+      4     -12.9711      1.00000
+      5     -12.8801      1.00000
+      6     -12.7075      1.00000
+      7     -11.2979      1.00000
+      8      -4.9175      1.00000
+      9      -4.6941      1.00000
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+     12      -4.1478      0.00000
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+     14      -3.0119      0.00000
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+     16      -2.8200      0.00000
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+     20      -1.7229      0.00000
+     21      -1.6151      0.00000
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+
+ k-point   5 :       0.3333    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -19.1083      1.00000
+      2     -19.0869      1.00000
+      3     -13.7080      1.00000
+      4     -13.1292      1.00000
+      5     -12.9457      1.00000
+      6     -12.7156      1.00000
+      7     -11.2596      1.00000
+      8      -4.9642      1.00000
+      9      -4.6809      1.00000
+     10      -4.3696      0.00000
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+     13      -4.1330      0.00000
+     14      -3.0045      0.00000
+     15      -2.9131      0.00000
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+     18      -2.6584      0.00000
+     19      -2.4902      0.00000
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+     23      -1.6396      0.00000
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+     29       3.3200      0.00000
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+     39       9.0945      0.00000
+     40       9.3552      0.00000
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+     42       9.4928      0.00000
+
+ k-point   6 :       0.3333    0.3333    0.3333
+  band No.  band energies     occupation 
+      1     -19.1024      1.00000
+      2     -19.0815      1.00000
+      3     -13.5120      1.00000
+      4     -13.1844      1.00000
+      5     -12.9214      1.00000
+      6     -12.8272      1.00000
+      7     -11.2147      1.00000
+      8      -4.9263      1.00000
+      9      -4.6816      1.00000
+     10      -4.4505      0.00000
+     11      -4.3763      0.00000
+     12      -4.3162      0.00000
+     13      -4.2714      0.00000
+     14      -3.4617      0.00000
+     15      -2.9928      0.00000
+     16      -2.9253      0.00000
+     17      -2.8461      0.00000
+     18      -2.8340      0.00000
+     19      -2.6966      0.00000
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+     21      -2.0018      0.00000
+     22      -1.7685      0.00000
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+     31       5.4173      0.00000
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+     39       7.6791      0.00000
+     40       8.3486      0.00000
+     41       8.5143      0.00000
+     42       9.3129      0.00000
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+ soft charge-density along one line, spin component           1
+         0         1         2         3         4         5         6         7         8         9
+ total charge-density along one line
+ 
+ soft charge-density along one line, spin component           2
+         0         1         2         3         4         5         6         7         8         9
+ total charge-density along one line
+ 
+ pseudopotential strength for first ion, spin component:           1
+ 10.497   0.030   0.000   0.000   0.000   0.000   0.000   0.000
+  0.030  -0.001   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000  -4.554   0.000   0.000  -0.022   0.000   0.000
+  0.000   0.000   0.000  -4.560   0.000   0.000  -0.026   0.000
+  0.000   0.000   0.000   0.000  -4.554   0.000   0.000  -0.022
+  0.000   0.000  -0.022   0.000   0.000  -0.775   0.000   0.000
+  0.000   0.000   0.000  -0.026   0.000   0.000  -0.775   0.000
+  0.000   0.000   0.000   0.000  -0.022   0.000   0.000  -0.775
+ pseudopotential strength for first ion, spin component:           2
+ 10.114   0.010   0.000   0.000   0.000   0.000   0.000   0.000
+  0.010  -0.001   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000  -4.516   0.000   0.000   0.051   0.000   0.000
+  0.000   0.000   0.000  -4.570   0.000   0.000   0.070   0.000
+  0.000   0.000   0.000   0.000  -4.516   0.000   0.000   0.051
+  0.000   0.000   0.051   0.000   0.000  -0.768   0.000   0.000
+  0.000   0.000   0.000   0.070   0.000   0.000  -0.769   0.000
+  0.000   0.000   0.000   0.000   0.051   0.000   0.000  -0.768
+ total augmentation occupancy for first ion, spin component:           1
+  2.047   0.084   0.000   0.000   0.000   0.000   0.000   0.000
+  0.084   0.008   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.751   0.000   0.000  -0.004   0.000   0.000
+  0.000   0.000   0.000   1.092   0.000   0.000  -0.008   0.000
+  0.000   0.000   0.000   0.000   0.751   0.000   0.000  -0.004
+  0.000   0.000  -0.004   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000  -0.008   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000   0.000  -0.004   0.000   0.000   0.000
+ total augmentation occupancy for first ion, spin component:           2
+  0.035  -0.059   0.000   0.000   0.000   0.000   0.000   0.000
+ -0.059  -0.004   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.730   0.000   0.000  -0.005   0.000   0.000
+  0.000   0.000   0.000   1.089   0.000   0.000  -0.008   0.000
+  0.000   0.000   0.000   0.000   0.730   0.000   0.000  -0.005
+  0.000   0.000  -0.005   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000  -0.008   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000   0.000  -0.005   0.000   0.000   0.000
+
+
+------------------------ aborting loop because EDIFF is reached ----------------------------------------
+
+
+ 
+
+
+ total charge     
+ 
+# of ion     s       p       d       tot
+----------------------------------------
+  1        1.073   0.995   0.000   2.068
+  2        1.632   2.842   0.000   4.475
+  3        1.632   2.842   0.000   4.475
+  4        1.369   1.922   0.000   3.291
+  5        1.369   1.922   0.000   3.291
+  6        1.371   1.919   0.000   3.289
+  7        1.369   1.924   0.000   3.293
+------------------------------------------------
+tot        9.815  14.367   0.000  24.181
+ 
+
+
+ magnetization (x)
+ 
+# of ion     s       p       d       tot
+----------------------------------------
+  1        0.029   0.978   0.000   1.008
+  2        0.017   1.574   0.000   1.591
+  3        0.017   1.574   0.000   1.591
+  4        0.045   1.876   0.000   1.921
+  5        0.045   1.876   0.000   1.921
+  6        0.047   1.913   0.000   1.960
+  7        0.049   1.917   0.000   1.966
+------------------------------------------------
+tot        0.249  11.709   0.000  11.958
+ 
+    CHARGE:  cpu time    0.10: real time    0.10
+    FORLOC:  cpu time    0.01: real time    0.01
+    FORNL :  cpu time    0.40: real time    0.40
+    STRESS:  cpu time    0.54: real time    0.54
+    FORHAR:  cpu time    0.03: real time    0.03
+    MIXING:  cpu time    0.01: real time    0.01
+
+  FORCE on cell =-STRESS in cart. coord.  units (eV):
+  Direction    XX          YY          ZZ          XY          YZ          ZX
+  --------------------------------------------------------------------------------------
+  Alpha Z    20.49128    20.49128    20.49128
+  Ewald    -346.27457  -346.27457  -338.02270     0.00000     0.00000     0.00000
+  Hartree   278.91721   278.91721   279.48921     0.00000     0.00000     0.00000
+  E(xc)    -153.00018  -153.00018  -152.45828     0.00000     0.00000     0.00000
+  Local    -402.31458  -402.31458  -469.92066     0.00000     0.00000     0.00000
+  n-local   -58.48795   -56.39154   -74.26120    -0.55859    -0.01186    -0.01355
+  augment    12.03814    12.03814    18.06606     0.00000     0.00000     0.00000
+  Kinetic   651.39996   643.41872   709.70164     2.08180     0.04050     0.04520
+  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+  -------------------------------------------------------------------------------------
+  Total      -0.17311    -0.17311    -6.91466     0.00000     0.00000     0.00000
+  in kB      -1.03329    -1.03329   -41.27384     0.00000     0.00000     0.00000
+  external pressure =      -14.45 kB  Pullay stress =        0.00 kB
+
+
+ VOLUME and BASIS-vectors are now :
+ -----------------------------------------------------------------------------
+  energy-cutoff  :      400.00
+  volume of cell :      268.41
+      direct lattice vectors                 reciprocal lattice vectors
+     4.462768259  0.000000000  0.000000000     0.224076166  0.000000000  0.000000000
+     0.000000000  4.462768259  0.000000000     0.000000000  0.224076166  0.000000000
+     0.000000000  0.000000000 13.477141422     0.000000000  0.000000000  0.074199711
+
+  length of vectors
+     4.462768259  4.462768259 13.477141422     0.224076166  0.224076166  0.074199711
+
+
+ FORCES acting on ions
+    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
+ -----------------------------------------------------------------------------------------------
+   -.368E-15 -.402E-15 -.198E-14   -.618E-15 0.426E-15 0.152E-13   -.854E-28 -.976E-28 0.000E+00   -.777E-14 -.191E-13 0.403E-13
+   0.183E-12 -.411E-12 -.329E+02   0.188E-14 -.766E-15 0.319E+02   0.250E-19 0.246E-19 0.198E+00   0.287E-12 -.144E-12 0.763E+00
+   0.178E-12 -.129E-11 0.329E+02   0.253E-15 0.810E-15 -.319E+02   -.250E-19 0.296E-19 -.198E+00   -.394E-12 0.462E-13 -.763E+00
+   0.699E-13 -.993E-12 0.648E+02   0.328E-14 -.133E-14 -.612E+02   0.121E-18 0.204E-18 -.113E+01   -.190E-12 -.724E-13 -.286E+01
+   0.720E-13 -.586E-12 -.648E+02   0.421E-14 0.155E-14 0.612E+02   -.121E-18 -.954E-19 0.113E+01   0.129E-12 0.202E-13 0.286E+01
+   0.778E-13 0.703E-15 -.173E-12   0.624E-15 -.857E-15 -.142E-13   0.220E-29 0.252E-29 0.000E+00   -.204E-13 0.506E-13 -.158E-12
+   0.108E-14 0.820E-13 0.239E-12   -.719E-14 0.133E-15 -.711E-14   0.210E-29 0.241E-29 0.000E+00   -.212E-13 -.560E-13 -.976E-13
+ -----------------------------------------------------------------------------------------------
+   0.581E-12 -.320E-11 0.224E-11   0.244E-14 -.381E-16 -.711E-14   -.120E-27 0.163E-18 -.222E-15   -.217E-12 -.175E-12 0.142E-12
+ 
+ 
+ POSITION                                       TOTAL-FORCE (eV/Angst)
+ -----------------------------------------------------------------------------------
+      0.00000      0.00000      0.00000         0.000000      0.000000      0.000000
+      2.23138      2.23138     11.59779         0.000000      0.000000     -0.049068
+      2.23138      2.23138      1.87935         0.000000      0.000000      0.049068
+      2.23138      2.23138      4.62857         0.000000      0.000000     -0.354843
+      2.23138      2.23138      8.84857         0.000000      0.000000      0.354843
+      2.23138      0.00000      6.73857         0.000000      0.000000      0.000000
+      0.00000      2.23138      6.73857         0.000000      0.000000      0.000000
+ -----------------------------------------------------------------------------------
+    total drift:                                0.000000      0.000000      0.000000
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
+  ---------------------------------------------------
+  free  energy   TOTEN  =       -17.533722 eV
+
+  energy  without entropy=      -17.533722  energy(sigma->0) =      -17.533722
+ 
+ d Force = 0.7261779E-02[ 0.211E-03, 0.143E-01]  d Energy =-0.1894991E+01 0.190E+01
+ d Force = 0.3427804E+01[ 0.330E+01, 0.355E+01]  d Ewald  = 0.4651579E+02-0.431E+02
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+    POTLOK:  cpu time    0.62: real time    0.62
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+    WAVPRE:  cpu time    0.01: real time    0.01
+    FEWALD:  cpu time    0.00: real time    0.00
+    GENKIN:  cpu time    0.00: real time    0.00
+    ORTHCH:  cpu time    0.09: real time    0.09
+     LOOP+:  cpu time   37.80: real time   38.95
+
+
+----------------------------------------- Iteration    4(   1)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.76: real time    2.76
+ BZINTS: Fermi energy: -4.283374; 36.000000 electrons
+         Band energy:-354.019591;  BLOECHL correction: -0.021130
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.49: real time    3.51
+
+ eigenvalue-minimisations  :  1140
+ total energy-change (2. order) :-0.1252776E+00  (-0.2279751E+00)
+ number of electron      35.9999969 magnetization      17.6426811
+ augmentation part        1.3913717 magnetization       0.8686477
+
+ Broyden mixing:
+  rms(total) = 0.89766E+00    rms(broyden)= 0.89600E+00
+  rms(prec ) = 0.10695E+01
+  weight for this iteration     100.00
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        20.92984147
+  Ewald energy   TEWEN  =     -1038.43360576
+  -1/2 Hartree   DENC   =      -849.80600823
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       144.04608892
+  PAW double counting   =       997.68707496    -1007.61558633
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -354.01959067
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.65816005 eV
+
+  energy without entropy =      -17.65816005  energy(sigma->0) =      -17.65816005
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    4(   2)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.85: real time    2.85
+ BZINTS: Fermi energy: -5.113956; 36.000000 electrons
+         Band energy:-378.186789;  BLOECHL correction: -0.009685
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.58: real time    3.65
+
+ eigenvalue-minimisations  :  1182
+ total energy-change (2. order) :-0.4013126E+00  (-0.8764142E+00)
+ number of electron      35.9999910 magnetization      17.1938510
+ augmentation part        1.9563387 magnetization       8.2943504
+
+ Broyden mixing:
+  rms(total) = 0.31562E+01    rms(broyden)= 0.31532E+01
+  rms(prec ) = 0.37154E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.1959
+  0.1959
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        20.92984147
+  Ewald energy   TEWEN  =     -1038.43360576
+  -1/2 Hartree   DENC   =      -829.22863662
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       146.82978923
+  PAW double counting   =       973.00969211     -982.53338983
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -378.18678883
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -18.05947264 eV
+
+  energy without entropy =      -18.05947264  energy(sigma->0) =      -18.05947264
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    4(   3)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.17
+    SETDIJ:  cpu time    0.44: real time    0.45
+     EDDAV:  cpu time    2.68: real time    2.68
+ BZINTS: Fermi energy: -4.268909; 36.000000 electrons
+         Band energy:-365.714166;  BLOECHL correction: -0.013988
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.41: real time    3.52
+
+ eigenvalue-minimisations  :  1090
+ total energy-change (2. order) :-0.1742317E+00  (-0.3284080E+00)
+ number of electron      35.9999946 magnetization      17.1291581
+ augmentation part        1.7428470 magnetization       5.0782061
+
+ Broyden mixing:
+  rms(total) = 0.14522E+01    rms(broyden)= 0.14504E+01
+  rms(prec ) = 0.18110E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.2584
+  0.2584  0.2584
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        20.92984147
+  Ewald energy   TEWEN  =     -1038.43360576
+  -1/2 Hartree   DENC   =      -837.78590903
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.18550834
+  PAW double counting   =       991.76409621    -1001.73309478
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -365.71416636
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -18.23370432 eV
+
+  energy without entropy =      -18.23370432  energy(sigma->0) =      -18.23370432
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    4(   4)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.81: real time    2.83
+ BZINTS: Fermi energy: -4.421912; 36.000000 electrons
+         Band energy:-362.306626;  BLOECHL correction: -0.018785
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.11
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.55: real time    3.65
+
+ eigenvalue-minimisations  :  1134
+ total energy-change (2. order) : 0.6651490E+00  (-0.5389057E-01)
+ number of electron      35.9999978 magnetization      17.1408114
+ augmentation part        1.4967399 magnetization       1.5539431
+
+ Broyden mixing:
+  rms(total) = 0.46127E+00    rms(broyden)= 0.45180E+00
+  rms(prec ) = 0.48988E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.1828
+  0.2578  0.2578  0.0328
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        20.92984147
+  Ewald energy   TEWEN  =     -1038.43360576
+  -1/2 Hartree   DENC   =      -840.54186444
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.16697473
+  PAW double counting   =       995.60838244    -1005.54528374
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -362.30662566
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.56855537 eV
+
+  energy without entropy =      -17.56855537  energy(sigma->0) =      -17.56855537
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    4(   5)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.17
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.58: real time    2.58
+ BZINTS: Fermi energy: -4.418838; 36.000000 electrons
+         Band energy:-362.578739;  BLOECHL correction: -0.019344
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.31: real time    3.39
+
+ eigenvalue-minimisations  :  1044
+ total energy-change (2. order) :-0.3505077E-01  (-0.2723017E-02)
+ number of electron      35.9999978 magnetization      17.2334739
+ augmentation part        1.4989365 magnetization       1.6458247
+
+ Broyden mixing:
+  rms(total) = 0.42682E+00    rms(broyden)= 0.42639E+00
+  rms(prec ) = 0.46455E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.4381
+  0.6380  0.6380  0.2382  0.2382
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        20.92984147
+  Ewald energy   TEWEN  =     -1038.43360576
+  -1/2 Hartree   DENC   =      -840.31486300
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.16999184
+  PAW double counting   =       995.85399674    -1005.78385447
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -362.57873855
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.60360614 eV
+
+  energy without entropy =      -17.60360614  energy(sigma->0) =      -17.60360614
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    4(   6)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.66: real time    2.67
+ BZINTS: Fermi energy: -4.354691; 36.000000 electrons
+         Band energy:-363.941289;  BLOECHL correction: -0.020946
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.40: real time    3.47
+
+ eigenvalue-minimisations  :  1094
+ total energy-change (2. order) :-0.3071162E-01  (-0.5350105E-02)
+ number of electron      35.9999982 magnetization      17.2472287
+ augmentation part        1.5066618 magnetization       1.6639294
+
+ Broyden mixing:
+  rms(total) = 0.38723E+00    rms(broyden)= 0.38670E+00
+  rms(prec ) = 0.42355E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.3982
+  0.6666  0.6666  0.2406  0.2406  0.1767
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        20.92984147
+  Ewald energy   TEWEN  =     -1038.43360576
+  -1/2 Hartree   DENC   =      -839.01057634
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.20335785
+  PAW double counting   =       997.38795379    -1007.32362560
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -363.94128878
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.63431776 eV
+
+  energy without entropy =      -17.63431776  energy(sigma->0) =      -17.63431776
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    4(   7)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.41: real time    2.41
+ BZINTS: Fermi energy: -4.346647; 36.000000 electrons
+         Band energy:-364.054906;  BLOECHL correction: -0.022639
+       DOS:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.04: real time    3.20
+
+ eigenvalue-minimisations  :   950
+ total energy-change (2. order) :-0.6305359E-02  (-0.1022339E-02)
+ number of electron      35.9999982 magnetization      17.2472287
+ augmentation part        1.5066618 magnetization       1.6639294
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        20.92984147
+  Ewald energy   TEWEN  =     -1038.43360576
+  -1/2 Hartree   DENC   =      -838.91877773
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.21821146
+  PAW double counting   =       997.63850690    -1007.57351907
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -364.05490598
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.64062312 eV
+
+  energy without entropy =      -17.64062312  energy(sigma->0) =      -17.64062312
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+ average (electrostatic) potential at core
+  the test charge radii are     0.6991  0.7215  0.7089
+  (the norm of the test charge is              1.0000)
+       1 -60.2142       2 -80.0444       3 -80.0444       4 -72.7706       5 -72.7706
+       6 -72.9304       7 -72.9304
+ 
+ 
+ 
+ E-fermi :  -4.3466     XC(G=0):  -5.0808     alpha+bet : -2.2748
+
+
+ spin component 1
+
+ k-point   1 :       0.0000    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -22.3351      1.00000
+      2     -22.3203      1.00000
+      3     -18.2569      1.00000
+      4     -17.4924      1.00000
+      5     -17.4392      1.00000
+      6     -17.2992      1.00000
+      7     -13.0256      1.00000
+      8      -7.7889      1.00000
+      9      -7.7889      1.00000
+     10      -7.7581      1.00000
+     11      -7.7581      1.00000
+     12      -6.9423      1.00000
+     13      -6.8979      1.00000
+     14      -6.8979      1.00000
+     15      -6.8608      1.00000
+     16      -6.3689      1.00000
+     17      -5.8932      1.00000
+     18      -5.8481      1.00000
+     19      -5.8481      1.00000
+     20      -5.7481      1.00000
+     21      -5.7481      1.00000
+     22      -5.5247      1.00000
+     23      -5.3035      1.00000
+     24      -5.3035      1.00000
+     25      -5.1423      1.00000
+     26      -4.5191      1.00000
+     27      -4.1284     -0.37570
+     28      -4.1284     -0.00772
+     29       1.3874      0.00000
+     30       2.1259      0.00000
+     31       2.8554      0.00000
+     32       4.8069      0.00000
+     33       4.9167      0.00000
+     34       5.8186      0.00000
+     35       6.8571      0.00000
+     36       7.2267      0.00000
+     37       7.3207      0.00000
+     38       7.6284      0.00000
+     39       8.6063      0.00000
+     40       8.6063      0.00000
+     41       8.8289      0.00000
+     42       8.8878      0.00000
+
+ k-point   2 :       0.3333    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -22.3308      1.00000
+      2     -22.3164      1.00000
+      3     -18.0649      1.00000
+      4     -17.6252      1.00000
+      5     -17.4781      1.00000
+      6     -17.3086      1.00000
+      7     -12.9936      1.00000
+      8      -7.8470      1.00000
+      9      -7.8433      1.00000
+     10      -7.7740      1.00000
+     11      -7.7510      1.00000
+     12      -7.0107      1.00000
+     13      -6.8669      1.00000
+     14      -6.6461      1.00000
+     15      -6.6160      1.00000
+     16      -6.6040      1.00000
+     17      -6.1797      1.00000
+     18      -6.0475      1.00000
+     19      -5.9536      1.00000
+     20      -5.8335      1.00000
+     21      -5.8314      1.00000
+     22      -5.4275      1.00000
+     23      -5.3919      1.00000
+     24      -5.1745      1.00000
+     25      -5.1634      1.00000
+     26      -4.4529      1.00000
+     27      -4.3815      0.85036
+     28      -4.1200     -0.08017
+     29       2.3794      0.00000
+     30       2.8825      0.00000
+     31       3.7962      0.00000
+     32       4.6861      0.00000
+     33       4.9005      0.00000
+     34       5.5427      0.00000
+     35       5.5704      0.00000
+     36       6.0422      0.00000
+     37       7.2109      0.00000
+     38       7.5126      0.00000
+     39       7.8208      0.00000
+     40       8.6219      0.00000
+     41       8.7535      0.00000
+     42       8.8089      0.00000
+
+ k-point   3 :       0.3333    0.3333    0.0000
+  band No.  band energies     occupation 
+      1     -22.3271      1.00000
+      2     -22.3130      1.00000
+      3     -17.9170      1.00000
+      4     -17.6713      1.00000
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+      8      -7.8678      1.00000
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+     27      -4.3622      0.90519
+     28      -4.3562      0.37356
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+
+ k-point   4 :       0.0000    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -22.3350      1.00000
+      2     -22.3202      1.00000
+      3     -18.2569      1.00000
+      4     -17.4924      1.00000
+      5     -17.4392      1.00000
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+      7     -13.0256      1.00000
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+     27      -4.1283     -0.37576
+     28      -4.1283     -0.00769
+     29       1.4837      0.00000
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+
+ k-point   5 :       0.3333    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -22.3309      1.00000
+      2     -22.3166      1.00000
+      3     -18.0649      1.00000
+      4     -17.6253      1.00000
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+      7     -12.9936      1.00000
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+     19      -5.9536      1.00000
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+     27      -4.3815      0.85051
+     28      -4.1201     -0.08015
+     29       2.4473      0.00000
+     30       2.7337      0.00000
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+
+ k-point   6 :       0.3333    0.3333    0.3333
+  band No.  band energies     occupation 
+      1     -22.3269      1.00000
+      2     -22.3128      1.00000
+      3     -17.9169      1.00000
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+     19      -5.8987      1.00000
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+     25      -5.0954      1.00000
+     26      -4.4367      1.00000
+     27      -4.3627      0.90578
+     28      -4.3560      0.37301
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+     38       6.6456      0.00000
+     39       7.0994      0.00000
+     40       7.3310      0.00000
+     41       7.3614      0.00000
+     42       7.8374      0.00000
+
+ spin component 2
+
+ k-point   1 :       0.0000    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -19.1284      1.00000
+      2     -19.1042      1.00000
+      3     -13.9286      1.00000
+      4     -13.0634      1.00000
+      5     -12.7499      1.00000
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+      7     -10.5222      1.00000
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+     10      -4.1498     -0.01191
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+     14      -2.9697      0.00000
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+     17      -1.9668      0.00000
+     18      -1.8997      0.00000
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+
+ k-point   2 :       0.3333    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -19.1217      1.00000
+      2     -19.0985      1.00000
+      3     -13.6746      1.00000
+      4     -13.0366      1.00000
+      5     -13.0315      1.00000
+      6     -12.7299      1.00000
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+
+ k-point   3 :       0.3333    0.3333    0.0000
+  band No.  band energies     occupation 
+      1     -19.1157      1.00000
+      2     -19.0930      1.00000
+      3     -13.4640      1.00000
+      4     -13.0733      1.00000
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+     10      -4.3491      0.37138
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+
+ k-point   4 :       0.0000    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -19.1283      1.00000
+      2     -19.1041      1.00000
+      3     -13.9285      1.00000
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+      5     -12.7499      1.00000
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+
+ k-point   5 :       0.3333    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -19.1218      1.00000
+      2     -19.0987      1.00000
+      3     -13.6746      1.00000
+      4     -13.0369      1.00000
+      5     -13.0315      1.00000
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+      9      -4.8524      1.00000
+     10      -4.2841     -0.07844
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+     14      -2.8901      0.00000
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+     39       9.2923      0.00000
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+
+ k-point   6 :       0.3333    0.3333    0.3333
+  band No.  band energies     occupation 
+      1     -19.1155      1.00000
+      2     -19.0929      1.00000
+      3     -13.4639      1.00000
+      4     -13.0732      1.00000
+      5     -13.0114      1.00000
+      6     -12.8670      1.00000
+      7     -10.4222      1.00000
+      8      -5.0935      1.00000
+      9      -4.8513      1.00000
+     10      -4.3499      0.38155
+     11      -4.2903      0.00000
+     12      -4.2369      0.00000
+     13      -4.1996      0.00000
+     14      -3.4605      0.00000
+     15      -2.9094      0.00000
+     16      -2.8483      0.00000
+     17      -2.6798      0.00000
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+     21      -1.8150      0.00000
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+     39       7.9681      0.00000
+     40       8.5560      0.00000
+     41       8.6981      0.00000
+     42       9.4203      0.00000
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+ soft charge-density along one line, spin component           1
+         0         1         2         3         4         5         6         7         8         9
+ total charge-density along one line
+ 
+ soft charge-density along one line, spin component           2
+         0         1         2         3         4         5         6         7         8         9
+ total charge-density along one line
+ 
+ pseudopotential strength for first ion, spin component:           1
+ 10.477   0.029   0.000   0.000   0.000   0.000   0.000   0.000
+  0.029  -0.001   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000  -4.513   0.000   0.000  -0.026   0.000   0.000
+  0.000   0.000   0.000  -4.526   0.000   0.000  -0.030   0.000
+  0.000   0.000   0.000   0.000  -4.513   0.000   0.000  -0.026
+  0.000   0.000  -0.026   0.000   0.000  -0.774   0.000   0.000
+  0.000   0.000   0.000  -0.030   0.000   0.000  -0.775   0.000
+  0.000   0.000   0.000   0.000  -0.026   0.000   0.000  -0.774
+ pseudopotential strength for first ion, spin component:           2
+ 10.012   0.005   0.000   0.000   0.000   0.000   0.000   0.000
+  0.005  -0.001   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000  -4.472   0.000   0.000   0.064   0.000   0.000
+  0.000   0.000   0.000  -4.508   0.000   0.000   0.080   0.000
+  0.000   0.000   0.000   0.000  -4.472   0.000   0.000   0.064
+  0.000   0.000   0.064   0.000   0.000  -0.765   0.000   0.000
+  0.000   0.000   0.000   0.080   0.000   0.000  -0.766   0.000
+  0.000   0.000   0.000   0.000   0.064   0.000   0.000  -0.765
+ total augmentation occupancy for first ion, spin component:           1
+  2.018   0.104   0.000   0.000   0.000   0.000   0.000   0.000
+  0.104   0.016   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.525   0.000   0.000  -0.002   0.000   0.000
+  0.000   0.000   0.000   1.077   0.000   0.000  -0.007   0.000
+  0.000   0.000   0.000   0.000   0.525   0.000   0.000  -0.002
+  0.000   0.000  -0.002   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000  -0.007   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000   0.000  -0.002   0.000   0.000   0.000
+ total augmentation occupancy for first ion, spin component:           2
+  0.053  -0.120   0.000   0.000   0.000   0.000   0.000   0.000
+ -0.120  -0.011   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.519   0.000   0.000  -0.002   0.000   0.000
+  0.000   0.000   0.000   1.076   0.000   0.000  -0.007   0.000
+  0.000   0.000   0.000   0.000   0.519   0.000   0.000  -0.002
+  0.000   0.000  -0.002   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000  -0.007   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000   0.000  -0.002   0.000   0.000   0.000
+
+
+------------------------ aborting loop because EDIFF is reached ----------------------------------------
+
+
+ 
+
+
+ total charge     
+ 
+# of ion     s       p       d       tot
+----------------------------------------
+  1        1.061   0.914   0.000   1.975
+  2        1.631   2.896   0.000   4.527
+  3        1.631   2.896   0.000   4.527
+  4        1.370   1.927   0.000   3.297
+  5        1.370   1.927   0.000   3.297
+  6        1.369   1.913   0.000   3.282
+  7        1.368   1.917   0.000   3.286
+------------------------------------------------
+tot        9.802  14.388   0.000  24.190
+ 
+
+
+ magnetization (x)
+ 
+# of ion     s       p       d       tot
+----------------------------------------
+  1        0.037   0.901   0.000   0.938
+  2        0.018   1.528   0.000   1.546
+  3        0.018   1.528   0.000   1.546
+  4        0.043   1.881   0.000   1.924
+  5        0.043   1.881   0.000   1.924
+  6        0.046   1.908   0.000   1.954
+  7        0.048   1.912   0.000   1.959
+------------------------------------------------
+tot        0.253  11.538   0.000  11.791
+ 
+    CHARGE:  cpu time    0.10: real time    0.10
+    FORLOC:  cpu time    0.01: real time    0.01
+    FORNL :  cpu time    0.40: real time    0.40
+    STRESS:  cpu time    0.54: real time    0.54
+    FORHAR:  cpu time    0.03: real time    0.03
+    MIXING:  cpu time    0.01: real time    0.01
+
+  FORCE on cell =-STRESS in cart. coord.  units (eV):
+  Direction    XX          YY          ZZ          XY          YZ          ZX
+  --------------------------------------------------------------------------------------
+  Alpha Z    20.92984    20.92984    20.92984
+  Ewald    -347.89394  -347.89394  -342.64675     0.00000     0.00000     0.00000
+  Hartree   278.97384   278.97384   279.65767     0.00000     0.00000     0.00000
+  E(xc)    -153.27829  -153.27829  -152.66204     0.00000     0.00000     0.00000
+  Local    -400.53060  -400.53060  -464.70808     0.00000     0.00000     0.00000
+  n-local   -58.30660   -56.66757   -74.18146    -0.08029    -0.00281    -0.00280
+  augment    12.22869    12.22869    18.66842     0.00000     0.00000     0.00000
+  Kinetic   650.01364   643.69080   710.34216     0.46668     0.01092     0.01001
+  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+  -------------------------------------------------------------------------------------
+  Total      -0.20531    -0.20531    -4.60023     0.00000     0.00000     0.00000
+  in kB      -1.25175    -1.25175   -28.04665     0.00000     0.00000     0.00000
+  external pressure =      -10.18 kB  Pullay stress =        0.00 kB
+
+
+ VOLUME and BASIS-vectors are now :
+ -----------------------------------------------------------------------------
+  energy-cutoff  :      400.00
+  volume of cell :      262.79
+      direct lattice vectors                 reciprocal lattice vectors
+     4.426219612  0.000000000  0.000000000     0.225926431  0.000000000  0.000000000
+     0.000000000  4.426219612  0.000000000     0.000000000  0.225926431  0.000000000
+     0.000000000  0.000000000 13.413547528     0.000000000  0.000000000  0.074551493
+
+  length of vectors
+     4.426219612  4.426219612 13.413547528     0.225926431  0.225926431  0.074551493
+
+
+ FORCES acting on ions
+    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
+ -----------------------------------------------------------------------------------------------
+   -.474E-15 -.551E-15 -.165E-14   0.876E-15 0.108E-14 -.624E-14   -.660E-29 -.754E-29 0.000E+00   -.961E-14 0.391E-13 0.846E-14
+   0.178E-12 -.784E-12 -.333E+02   -.135E-14 0.484E-17 0.311E+02   -.224E-19 -.121E-19 -.106E+00   0.422E-13 -.430E-12 0.232E+01
+   0.181E-12 -.305E-13 0.333E+02   0.122E-14 -.230E-15 -.311E+02   0.224E-19 0.121E-19 0.106E+00   -.195E-12 -.999E-13 -.232E+01
+   0.684E-13 -.668E-12 0.659E+02   -.154E-14 -.476E-16 -.625E+02   0.265E-18 0.261E-18 -.120E+01   -.155E-12 -.194E-12 -.254E+01
+   0.670E-13 -.257E-12 -.659E+02   -.246E-14 -.587E-15 0.625E+02   -.265E-18 -.179E-18 0.120E+01   0.867E-13 0.250E-12 0.254E+01
+   0.776E-13 0.924E-15 -.180E-12   0.281E-14 0.148E-14 0.213E-13   0.151E-29 0.173E-29 0.000E+00   -.306E-13 -.236E-12 0.236E-12
+   0.407E-15 0.812E-13 0.237E-12   0.174E-14 -.799E-15 0.284E-13   0.705E-30 0.806E-30 0.000E+00   -.143E-13 0.425E-13 0.179E-12
+ -----------------------------------------------------------------------------------------------
+   0.572E-12 -.166E-11 0.640E-12   0.131E-14 0.897E-15 -.748E-22   0.117E-29 0.813E-19 0.000E+00   -.275E-12 -.627E-12 0.830E-12
+ 
+ 
+ POSITION                                       TOTAL-FORCE (eV/Angst)
+ -----------------------------------------------------------------------------------
+      0.00000      0.00000      0.00000         0.000000      0.000000      0.000000
+      2.21311      2.21311     11.54977         0.000000      0.000000      0.004499
+      2.21311      2.21311      1.86378         0.000000      0.000000     -0.004499
+      2.21311      2.21311      4.60575         0.000000      0.000000     -0.386129
+      2.21311      2.21311      8.80780         0.000000      0.000000      0.386129
+      2.21311      0.00000      6.70677         0.000000      0.000000      0.000000
+      0.00000      2.21311      6.70677         0.000000      0.000000      0.000000
+ -----------------------------------------------------------------------------------
+    total drift:                                0.000000      0.000000      0.000000
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
+  ---------------------------------------------------
+  free  energy   TOTEN  =       -17.640623 eV
+
+  energy  without entropy=      -17.640623  energy(sigma->0) =      -17.640623
+ 
+ d Force = 0.4245160E-03[ 0.814E-03, 0.350E-04]  d Energy = 0.1069010E+00-0.106E+00
+ d Force = 0.5433400E+00[ 0.539E+00, 0.547E+00]  d Ewald  = 0.7862787E+01-0.732E+01
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+    POTLOK:  cpu time    0.62: real time    0.62
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+    WAVPRE:  cpu time    0.01: real time    0.01
+    FEWALD:  cpu time    0.00: real time    0.00
+    GENKIN:  cpu time    0.00: real time    0.00
+    ORTHCH:  cpu time    0.09: real time    0.09
+     LOOP+:  cpu time   26.04: real time   26.91
+
+
+----------------------------------------- Iteration    5(   1)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.17
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.59: real time    2.59
+ BZINTS: Fermi energy: -3.868957; 36.000000 electrons
+         Band energy:-340.327322;  BLOECHL correction: -0.023308
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.32: real time    3.34
+
+ eigenvalue-minimisations  :  1050
+ total energy-change (2. order) :-0.4148813E+00  (-0.9251804E+00)
+ number of electron      35.9999984 magnetization      17.4656926
+ augmentation part        1.4410281 magnetization       1.8251762
+
+ Broyden mixing:
+  rms(total) = 0.56747E+00    rms(broyden)= 0.56659E+00
+  rms(prec ) = 0.64659E+00
+  weight for this iteration     100.00
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        21.84579025
+  Ewald energy   TEWEN  =     -1054.44554593
+  -1/2 Hartree   DENC   =      -849.92530700
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       145.18538903
+  PAW double counting   =       997.43695243    -1007.37278118
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -340.32732228
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -18.04919908 eV
+
+  energy without entropy =      -18.04919908  energy(sigma->0) =      -18.04919908
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    5(   2)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.66: real time    2.66
+ BZINTS: Fermi energy: -4.277969; 36.000000 electrons
+         Band energy:-358.767639;  BLOECHL correction: -0.014941
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.40: real time    3.46
+
+ eigenvalue-minimisations  :  1090
+ total energy-change (2. order) :-0.4978957E-01  (-0.1893747E+00)
+ number of electron      35.9999980 magnetization      17.2710641
+ augmentation part        1.7561036 magnetization       5.1946535
+
+ Broyden mixing:
+  rms(total) = 0.15771E+01    rms(broyden)= 0.15755E+01
+  rms(prec ) = 0.19192E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.1654
+  0.1654
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        21.84579025
+  Ewald energy   TEWEN  =     -1054.44554593
+  -1/2 Hartree   DENC   =      -830.58772429
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.98097346
+  PAW double counting   =       981.24700614     -990.92547480
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -358.76763908
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -18.09898865 eV
+
+  energy without entropy =      -18.09898865  energy(sigma->0) =      -18.09898865
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    5(   3)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.63: real time    2.63
+ BZINTS: Fermi energy: -4.422780; 36.000000 electrons
+         Band energy:-353.574876;  BLOECHL correction: -0.016810
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.36: real time    3.44
+
+ eigenvalue-minimisations  :  1070
+ total energy-change (2. order) : 0.4343994E+00  (-0.2464769E+00)
+ number of electron      35.9999984 magnetization      17.2987548
+ augmentation part        1.4751288 magnetization       1.6744842
+
+ Broyden mixing:
+  rms(total) = 0.41698E+00    rms(broyden)= 0.41227E+00
+  rms(prec ) = 0.46397E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.5037
+  0.1549  0.8525
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        21.84579025
+  Ewald energy   TEWEN  =     -1054.44554593
+  -1/2 Hartree   DENC   =      -834.81125885
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.63246264
+  PAW double counting   =       990.54529243    -1000.41007943
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -353.57487593
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.66458923 eV
+
+  energy without entropy =      -17.66458923  energy(sigma->0) =      -17.66458923
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    5(   4)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.73: real time    2.73
+ BZINTS: Fermi energy: -4.619365; 36.000000 electrons
+         Band energy:-358.012873;  BLOECHL correction: -0.014048
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.47: real time    3.55
+
+ eigenvalue-minimisations  :  1124
+ total energy-change (2. order) :-0.8125288E-01  (-0.1966927E-01)
+ number of electron      35.9999983 magnetization      17.3401760
+ augmentation part        1.4907890 magnetization       1.7309835
+
+ Broyden mixing:
+  rms(total) = 0.32525E+00    rms(broyden)= 0.32496E+00
+  rms(prec ) = 0.39033E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.7869
+  0.1630  0.8238  1.3739
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        21.84579025
+  Ewald energy   TEWEN  =     -1054.44554593
+  -1/2 Hartree   DENC   =      -830.22174635
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.37531665
+  PAW double counting   =       993.64342624    -1003.48383578
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -358.01287278
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.74584210 eV
+
+  energy without entropy =      -17.74584210  energy(sigma->0) =      -17.74584210
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    5(   5)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.60: real time    2.60
+ BZINTS: Fermi energy: -4.556202; 36.000000 electrons
+         Band energy:-360.242083;  BLOECHL correction: -0.019707
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.34: real time    3.40
+
+ eigenvalue-minimisations  :  1058
+ total energy-change (2. order) : 0.4353476E-01  (-0.1528095E-01)
+ number of electron      35.9999984 magnetization      17.3625695
+ augmentation part        1.5107777 magnetization       1.7725024
+
+ Broyden mixing:
+  rms(total) = 0.24996E+00    rms(broyden)= 0.24984E+00
+  rms(prec ) = 0.28984E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.6388
+  1.3726  0.7996  0.1615  0.2213
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        21.84579025
+  Ewald energy   TEWEN  =     -1054.44554593
+  -1/2 Hartree   DENC   =      -827.83868126
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.30316290
+  PAW double counting   =       998.30352947    -1008.18210524
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -360.24208314
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.70230734 eV
+
+  energy without entropy =      -17.70230734  energy(sigma->0) =      -17.70230734
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    5(   6)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.42: real time    0.45
+     EDDAV:  cpu time    2.35: real time    2.35
+ BZINTS: Fermi energy: -4.567076; 36.000000 electrons
+         Band energy:-360.403616;  BLOECHL correction: -0.019791
+       DOS:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    2.95: real time    3.06
+
+ eigenvalue-minimisations  :   910
+ total energy-change (2. order) :-0.1891384E-02  (-0.5597556E-03)
+ number of electron      35.9999984 magnetization      17.3625695
+ augmentation part        1.5107777 magnetization       1.7725024
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        21.84579025
+  Ewald energy   TEWEN  =     -1054.44554593
+  -1/2 Hartree   DENC   =      -827.72378047
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.34389050
+  PAW double counting   =       999.34275813    -1009.21732065
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -360.40361616
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.70419873 eV
+
+  energy without entropy =      -17.70419873  energy(sigma->0) =      -17.70419873
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+ average (electrostatic) potential at core
+  the test charge radii are     0.6991  0.7215  0.7089
+  (the norm of the test charge is              1.0000)
+       1 -60.6266       2 -80.1180       3 -80.1180       4 -72.5100       5 -72.5100
+       6 -72.5626       7 -72.5626
+ 
+ 
+ 
+ E-fermi :  -4.5671     XC(G=0):  -5.1952     alpha+bet : -2.3744
+
+
+ spin component 1
+
+ k-point   1 :       0.0000    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -22.4414      1.00000
+      2     -22.4242      1.00000
+      3     -17.9996      1.00000
+      4     -17.2567      1.00000
+      5     -17.0596      1.00000
+      6     -17.0209      1.00000
+      7     -13.3349      1.00000
+      8      -8.0328      1.00000
+      9      -8.0328      1.00000
+     10      -7.9988      1.00000
+     11      -7.9988      1.00000
+     12      -6.7226      1.00000
+     13      -6.6623      1.00000
+     14      -6.6247      1.00000
+     15      -6.6247      1.00000
+     16      -6.1043      1.00000
+     17      -5.6071      1.00000
+     18      -5.6071      1.00000
+     19      -5.5402      1.00000
+     20      -5.4415      1.00000
+     21      -5.4415      1.00000
+     22      -5.2686      1.00000
+     23      -4.9290      1.00000
+     24      -4.9284      1.00000
+     25      -4.9284      1.00000
+     26      -4.7424      1.00000
+     27      -4.3992     -0.27274
+     28      -4.3992     -0.03048
+     29       1.4459      0.00000
+     30       2.1793      0.00000
+     31       3.1331      0.00000
+     32       5.0431      0.00000
+     33       5.1485      0.00000
+     34       5.8997      0.00000
+     35       7.2446      0.00000
+     36       7.4843      0.00000
+     37       7.6990      0.00000
+     38       7.9871      0.00000
+     39       8.8406      0.00000
+     40       8.8406      0.00000
+     41       9.0877      0.00000
+     42       9.1596      0.00000
+
+ k-point   2 :       0.3333    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -22.4362      1.00000
+      2     -22.4195      1.00000
+      3     -17.7890      1.00000
+      4     -17.2797      1.00000
+      5     -17.2397      1.00000
+      6     -17.0167      1.00000
+      7     -13.3003      1.00000
+      8      -8.0966      1.00000
+      9      -8.0897      1.00000
+     10      -8.0160      1.00000
+     11      -7.9909      1.00000
+     12      -6.8027      1.00000
+     13      -6.6426      1.00000
+     14      -6.3798      1.00000
+     15      -6.3604      1.00000
+     16      -6.3467      1.00000
+     17      -5.8852      1.00000
+     18      -5.7443      1.00000
+     19      -5.6163      1.00000
+     20      -5.5907      1.00000
+     21      -5.5645      1.00000
+     22      -5.1168      1.00000
+     23      -5.0664      1.00000
+     24      -4.8970      1.00000
+     25      -4.8703      1.00000
+     26      -4.7493      1.00000
+     27      -4.5962      0.86860
+     28      -4.3922     -0.08086
+     29       2.4515      0.00000
+     30       2.9457      0.00000
+     31       4.0815      0.00000
+     32       4.8232      0.00000
+     33       5.0603      0.00000
+     34       5.8009      0.00000
+     35       5.8106      0.00000
+     36       6.3319      0.00000
+     37       7.5283      0.00000
+     38       7.9953      0.00000
+     39       8.1340      0.00000
+     40       8.8530      0.00000
+     41       9.0646      0.00000
+     42       9.0694      0.00000
+
+ k-point   3 :       0.3333    0.3333    0.0000
+  band No.  band energies     occupation 
+      1     -22.4315      1.00000
+      2     -22.4153      1.00000
+      3     -17.6209      1.00000
+      4     -17.3223      1.00000
+      5     -17.2234      1.00000
+      6     -17.1198      1.00000
+      7     -13.2574      1.00000
+      8      -8.1199      1.00000
+      9      -8.0979      1.00000
+     10      -8.0784      1.00000
+     11      -8.0667      1.00000
+     12      -7.1232      1.00000
+     13      -6.5820      1.00000
+     14      -6.5759      1.00000
+     15      -6.3638      1.00000
+     16      -6.3521      1.00000
+     17      -6.3446      1.00000
+     18      -5.8444      1.00000
+     19      -5.6681      1.00000
+     20      -5.3065      1.00000
+     21      -5.1673      1.00000
+     22      -5.0470      1.00000
+     23      -4.9130      1.00000
+     24      -4.8857      1.00000
+     25      -4.8544      1.00000
+     26      -4.7479      1.00000
+     27      -4.6364      0.96862
+     28      -4.6027      0.53678
+     29       3.2675      0.00000
+     30       3.6065      0.00000
+     31       4.7935      0.00000
+     32       5.3504      0.00000
+     33       5.5116      0.00000
+     34       5.5324      0.00000
+     35       5.8983      0.00000
+     36       6.4912      0.00000
+     37       6.7904      0.00000
+     38       6.8363      0.00000
+     39       7.0933      0.00000
+     40       7.7512      0.00000
+     41       8.0964      0.00000
+     42       9.1999      0.00000
+
+ k-point   4 :       0.0000    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -22.4414      1.00000
+      2     -22.4241      1.00000
+      3     -17.9996      1.00000
+      4     -17.2568      1.00000
+      5     -17.0597      1.00000
+      6     -17.0209      1.00000
+      7     -13.3349      1.00000
+      8      -8.0325      1.00000
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+     10      -7.9989      1.00000
+     11      -7.9989      1.00000
+     12      -6.7882      1.00000
+     13      -6.6247      1.00000
+     14      -6.6247      1.00000
+     15      -6.5538      1.00000
+     16      -6.1674      1.00000
+     17      -5.6071      1.00000
+     18      -5.6071      1.00000
+     19      -5.5401      1.00000
+     20      -5.4415      1.00000
+     21      -5.4415      1.00000
+     22      -5.2398      1.00000
+     23      -4.9281      1.00000
+     24      -4.9281      1.00000
+     25      -4.8920      1.00000
+     26      -4.7878      1.00000
+     27      -4.3992     -0.26418
+     28      -4.3992     -0.03104
+     29       1.5265      0.00000
+     30       1.9786      0.00000
+     31       3.4815      0.00000
+     32       4.3016      0.00000
+     33       5.8928      0.00000
+     34       5.9080      0.00000
+     35       6.9547      0.00000
+     36       7.3304      0.00000
+     37       7.6101      0.00000
+     38       8.2962      0.00000
+     39       8.8689      0.00000
+     40       8.8690      0.00000
+     41       9.4987      0.00000
+     42      10.3561      0.00000
+
+ k-point   5 :       0.3333    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -22.4362      1.00000
+      2     -22.4197      1.00000
+      3     -17.7890      1.00000
+      4     -17.2797      1.00000
+      5     -17.2398      1.00000
+      6     -17.0167      1.00000
+      7     -13.3003      1.00000
+      8      -8.0966      1.00000
+      9      -8.0899      1.00000
+     10      -8.0161      1.00000
+     11      -7.9912      1.00000
+     12      -6.7752      1.00000
+     13      -6.6831      1.00000
+     14      -6.4210      1.00000
+     15      -6.3606      1.00000
+     16      -6.2771      1.00000
+     17      -5.9324      1.00000
+     18      -5.7024      1.00000
+     19      -5.6163      1.00000
+     20      -5.5910      1.00000
+     21      -5.5646      1.00000
+     22      -5.1318      1.00000
+     23      -5.0665      1.00000
+     24      -4.9285      1.00000
+     25      -4.8369      1.00000
+     26      -4.7430      1.00000
+     27      -4.6010      0.87850
+     28      -4.3923     -0.08008
+     29       2.5031      0.00000
+     30       2.8369      0.00000
+     31       4.2941      0.00000
+     32       4.8389      0.00000
+     33       4.9338      0.00000
+     34       5.2806      0.00000
+     35       6.4265      0.00000
+     36       6.4995      0.00000
+     37       7.1149      0.00000
+     38       7.8132      0.00000
+     39       8.3974      0.00000
+     40       8.8793      0.00000
+     41       8.9480      0.00000
+     42       9.0463      0.00000
+
+ k-point   6 :       0.3333    0.3333    0.3333
+  band No.  band energies     occupation 
+      1     -22.4314      1.00000
+      2     -22.4151      1.00000
+      3     -17.6208      1.00000
+      4     -17.3223      1.00000
+      5     -17.2234      1.00000
+      6     -17.1197      1.00000
+      7     -13.2574      1.00000
+      8      -8.1200      1.00000
+      9      -8.0979      1.00000
+     10      -8.0781      1.00000
+     11      -8.0662      1.00000
+     12      -7.1065      1.00000
+     13      -6.6719      1.00000
+     14      -6.5479      1.00000
+     15      -6.4106      1.00000
+     16      -6.3447      1.00000
+     17      -6.2394      1.00000
+     18      -5.8440      1.00000
+     19      -5.6629      1.00000
+     20      -5.3465      1.00000
+     21      -5.1671      1.00000
+     22      -5.0472      1.00000
+     23      -4.9186      1.00000
+     24      -4.9127      1.00000
+     25      -4.8016      1.00000
+     26      -4.7422      1.00000
+     27      -4.6362      0.96892
+     28      -4.6124      0.57280
+     29       3.2909      0.00000
+     30       3.5623      0.00000
+     31       4.8634      0.00000
+     32       5.3699      0.00000
+     33       5.4315      0.00000
+     34       5.4796      0.00000
+     35       6.0980      0.00000
+     36       6.4665      0.00000
+     37       6.5429      0.00000
+     38       6.9040      0.00000
+     39       7.2447      0.00000
+     40       7.6337      0.00000
+     41       7.6732      0.00000
+     42       8.2761      0.00000
+
+ spin component 2
+
+ k-point   1 :       0.0000    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -19.1461      1.00000
+      2     -19.1173      1.00000
+      3     -13.6736      1.00000
+      4     -12.8092      1.00000
+      5     -12.4378      1.00000
+      6     -12.3394      1.00000
+      7     -10.8116      1.00000
+      8      -5.2259      1.00000
+      9      -4.9978      1.00000
+     10      -4.1046      0.00000
+     11      -4.1046      0.00000
+     12      -3.9966      0.00000
+     13      -3.9966      0.00000
+     14      -2.6774      0.00000
+     15      -2.6774      0.00000
+     16      -2.5121      0.00000
+     17      -2.2028      0.00000
+     18      -2.2028      0.00000
+     19      -2.0579      0.00000
+     20      -1.5216      0.00000
+     21      -1.3679      0.00000
+     22      -1.3679      0.00000
+     23      -1.1794      0.00000
+     24      -1.0512      0.00000
+     25      -1.0512      0.00000
+     26      -0.7653      0.00000
+     27      -0.3506      0.00000
+     28      -0.3506      0.00000
+     29       2.4175      0.00000
+     30       3.4275      0.00000
+     31       4.2960      0.00000
+     32       6.1260      0.00000
+     33       6.5013      0.00000
+     34       6.5542      0.00000
+     35       8.1900      0.00000
+     36       8.5682      0.00000
+     37       8.9331      0.00000
+     38       8.9376      0.00000
+     39       9.9928      0.00000
+     40       9.9928      0.00000
+     41      10.4059      0.00000
+     42      11.6775      0.00000
+
+ k-point   2 :       0.3333    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -19.1378      1.00000
+      2     -19.1104      1.00000
+      3     -13.3996      1.00000
+      4     -12.7781      1.00000
+      5     -12.6725      1.00000
+      6     -12.3943      1.00000
+      7     -10.7605      1.00000
+      8      -5.2791      1.00000
+      9      -4.9739      1.00000
+     10      -4.2503      0.00000
+     11      -4.2145      0.00000
+     12      -4.0430      0.00000
+     13      -3.9786      0.00000
+     14      -2.7184      0.00000
+     15      -2.6207      0.00000
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+     17      -2.3298      0.00000
+     18      -2.2327      0.00000
+     19      -1.9941      0.00000
+     20      -1.8184      0.00000
+     21      -1.7868      0.00000
+     22      -1.3325      0.00000
+     23      -1.3096      0.00000
+     24      -1.2832      0.00000
+     25      -0.8540      0.00000
+     26      -0.5730      0.00000
+     27      -0.5389      0.00000
+     28      -0.5140      0.00000
+     29       3.5849      0.00000
+     30       4.1535      0.00000
+     31       5.3164      0.00000
+     32       5.8487      0.00000
+     33       6.0973      0.00000
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+     35       7.3070      0.00000
+     36       7.4308      0.00000
+     37       8.8716      0.00000
+     38       9.1783      0.00000
+     39       9.7717      0.00000
+     40       9.8283      0.00000
+     41       9.9255      0.00000
+     42      10.1019      0.00000
+
+ k-point   3 :       0.3333    0.3333    0.0000
+  band No.  band energies     occupation 
+      1     -19.1305      1.00000
+      2     -19.1039      1.00000
+      3     -13.1683      1.00000
+      4     -12.7485      1.00000
+      5     -12.7021      1.00000
+      6     -12.5579      1.00000
+      7     -10.6988      1.00000
+      8      -5.2525      1.00000
+      9      -4.9550      1.00000
+     10      -4.3517      0.00000
+     11      -4.2662      0.00000
+     12      -4.1924      0.00000
+     13      -4.1457      0.00000
+     14      -3.2459      0.00000
+     15      -2.6305      0.00000
+     16      -2.5731      0.00000
+     17      -2.5320      0.00000
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+     19      -2.3986      0.00000
+     20      -1.8196      0.00000
+     21      -1.7258      0.00000
+     22      -1.5389      0.00000
+     23      -1.4046      0.00000
+     24      -0.6650      0.00000
+     25      -0.6069      0.00000
+     26      -0.5330      0.00000
+     27      -0.4734      0.00000
+     28      -0.2923      0.00000
+     29       4.4129      0.00000
+     30       4.8260      0.00000
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+     32       6.4912      0.00000
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+     35       7.0824      0.00000
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+     39       8.1302      0.00000
+     40       8.7989      0.00000
+     41       9.2783      0.00000
+     42       9.7251      0.00000
+
+ k-point   4 :       0.0000    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -19.1460      1.00000
+      2     -19.1172      1.00000
+      3     -13.6735      1.00000
+      4     -12.8095      1.00000
+      5     -12.4375      1.00000
+      6     -12.3394      1.00000
+      7     -10.8116      1.00000
+      8      -5.2308      1.00000
+      9      -4.9915      1.00000
+     10      -4.1041      0.00000
+     11      -4.1041      0.00000
+     12      -3.9971      0.00000
+     13      -3.9971      0.00000
+     14      -2.6767      0.00000
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+     16      -2.5161      0.00000
+     17      -2.2036      0.00000
+     18      -2.2036      0.00000
+     19      -2.0751      0.00000
+     20      -1.4743      0.00000
+     21      -1.3675      0.00000
+     22      -1.3675      0.00000
+     23      -1.1794      0.00000
+     24      -1.0513      0.00000
+     25      -1.0513      0.00000
+     26      -0.7987      0.00000
+     27      -0.3505      0.00000
+     28      -0.3505      0.00000
+     29       2.5139      0.00000
+     30       3.1919      0.00000
+     31       4.6256      0.00000
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+     39      10.0049      0.00000
+     40      10.0049      0.00000
+     41      10.2447      0.00000
+     42      10.2447      0.00000
+
+ k-point   5 :       0.3333    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -19.1379      1.00000
+      2     -19.1106      1.00000
+      3     -13.3995      1.00000
+      4     -12.7784      1.00000
+      5     -12.6725      1.00000
+      6     -12.3942      1.00000
+      7     -10.7605      1.00000
+      8      -5.2777      1.00000
+      9      -4.9763      1.00000
+     10      -4.2494      0.00000
+     11      -4.2160      0.00000
+     12      -4.0428      0.00000
+     13      -3.9791      0.00000
+     14      -2.6868      0.00000
+     15      -2.6184      0.00000
+     16      -2.5712      0.00000
+     17      -2.3290      0.00000
+     18      -2.2336      0.00000
+     19      -1.9880      0.00000
+     20      -1.8359      0.00000
+     21      -1.7703      0.00000
+     22      -1.3328      0.00000
+     23      -1.3095      0.00000
+     24      -1.2832      0.00000
+     25      -0.8595      0.00000
+     26      -0.5730      0.00000
+     27      -0.5333      0.00000
+     28      -0.5159      0.00000
+     29       3.6206      0.00000
+     30       4.0734      0.00000
+     31       5.4263      0.00000
+     32       5.9088      0.00000
+     33       6.0452      0.00000
+     34       6.6025      0.00000
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+     37       8.4268      0.00000
+     38       9.3780      0.00000
+     39       9.7192      0.00000
+     40       9.8605      0.00000
+     41       9.9247      0.00000
+     42      10.0284      0.00000
+
+ k-point   6 :       0.3333    0.3333    0.3333
+  band No.  band energies     occupation 
+      1     -19.1303      1.00000
+      2     -19.1037      1.00000
+      3     -13.1681      1.00000
+      4     -12.7487      1.00000
+      5     -12.7021      1.00000
+      6     -12.5576      1.00000
+      7     -10.6988      1.00000
+      8      -5.2416      1.00000
+      9      -4.9705      1.00000
+     10      -4.3524      0.00000
+     11      -4.2658      0.00000
+     12      -4.1917      0.00000
+     13      -4.1446      0.00000
+     14      -3.2342      0.00000
+     15      -2.6254      0.00000
+     16      -2.6017      0.00000
+     17      -2.5115      0.00000
+     18      -2.4688      0.00000
+     19      -2.3778      0.00000
+     20      -1.8189      0.00000
+     21      -1.7272      0.00000
+     22      -1.5391      0.00000
+     23      -1.4177      0.00000
+     24      -0.6650      0.00000
+     25      -0.5967      0.00000
+     26      -0.5330      0.00000
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+     29       4.4079      0.00000
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+     31       5.8595      0.00000
+     32       6.5003      0.00000
+     33       6.5943      0.00000
+     34       6.7422      0.00000
+     35       7.1900      0.00000
+     36       7.4640      0.00000
+     37       7.7549      0.00000
+     38       7.9323      0.00000
+     39       8.1145      0.00000
+     40       8.9023      0.00000
+     41       9.0572      0.00000
+     42       9.9274      0.00000
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+ soft charge-density along one line, spin component           1
+         0         1         2         3         4         5         6         7         8         9
+ total charge-density along one line
+ 
+ soft charge-density along one line, spin component           2
+         0         1         2         3         4         5         6         7         8         9
+ total charge-density along one line
+ 
+ pseudopotential strength for first ion, spin component:           1
+ 10.501   0.030   0.000   0.000   0.000   0.000   0.000   0.000
+  0.030  -0.001   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000  -4.535   0.000   0.000  -0.025   0.000   0.000
+  0.000   0.000   0.000  -4.558   0.000   0.000  -0.030   0.000
+  0.000   0.000   0.000   0.000  -4.535   0.000   0.000  -0.025
+  0.000   0.000  -0.025   0.000   0.000  -0.775   0.000   0.000
+  0.000   0.000   0.000  -0.030   0.000   0.000  -0.775   0.000
+  0.000   0.000   0.000   0.000  -0.025   0.000   0.000  -0.775
+ pseudopotential strength for first ion, spin component:           2
+ 10.034   0.006   0.000   0.000   0.000   0.000   0.000   0.000
+  0.006  -0.001   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000  -4.493   0.000   0.000   0.064   0.000   0.000
+  0.000   0.000   0.000  -4.522   0.000   0.000   0.082   0.000
+  0.000   0.000   0.000   0.000  -4.493   0.000   0.000   0.064
+  0.000   0.000   0.064   0.000   0.000  -0.766   0.000   0.000
+  0.000   0.000   0.000   0.082   0.000   0.000  -0.767   0.000
+  0.000   0.000   0.000   0.000   0.064   0.000   0.000  -0.766
+ total augmentation occupancy for first ion, spin component:           1
+  2.029   0.133   0.000   0.000   0.000   0.000   0.000   0.000
+  0.133   0.019   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.551   0.000   0.000  -0.004   0.000   0.000
+  0.000   0.000   0.000   1.097   0.000   0.000  -0.015   0.000
+  0.000   0.000   0.000   0.000   0.551   0.000   0.000  -0.004
+  0.000   0.000  -0.004   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000  -0.015   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000   0.000  -0.004   0.000   0.000   0.000
+ total augmentation occupancy for first ion, spin component:           2
+  0.054  -0.110   0.000   0.000   0.000   0.000   0.000   0.000
+ -0.110  -0.013   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.541   0.000   0.000  -0.005   0.000   0.000
+  0.000   0.000   0.000   1.096   0.000   0.000  -0.015   0.000
+  0.000   0.000   0.000   0.000   0.541   0.000   0.000  -0.005
+  0.000   0.000  -0.005   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000  -0.015   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000   0.000  -0.005   0.000   0.000   0.000
+
+
+------------------------ aborting loop because EDIFF is reached ----------------------------------------
+
+
+ 
+
+
+ total charge     
+ 
+# of ion     s       p       d       tot
+----------------------------------------
+  1        1.066   1.003   0.000   2.068
+  2        1.628   2.865   0.000   4.493
+  3        1.628   2.865   0.000   4.493
+  4        1.368   1.923   0.000   3.291
+  5        1.368   1.923   0.000   3.291
+  6        1.367   1.918   0.000   3.285
+  7        1.366   1.923   0.000   3.288
+------------------------------------------------
+tot        9.792  14.419   0.000  24.211
+ 
+
+
+ magnetization (x)
+ 
+# of ion     s       p       d       tot
+----------------------------------------
+  1        0.036   0.993   0.000   1.029
+  2        0.019   1.554   0.000   1.573
+  3        0.019   1.554   0.000   1.573
+  4        0.045   1.887   0.000   1.932
+  5        0.045   1.887   0.000   1.932
+  6        0.048   1.914   0.000   1.962
+  7        0.049   1.918   0.000   1.968
+------------------------------------------------
+tot        0.260  11.708   0.000  11.968
+ 
+    CHARGE:  cpu time    0.10: real time    0.10
+    FORLOC:  cpu time    0.01: real time    0.01
+    FORNL :  cpu time    0.40: real time    0.40
+    STRESS:  cpu time    0.54: real time    0.54
+    FORHAR:  cpu time    0.03: real time    0.03
+    MIXING:  cpu time    0.01: real time    0.01
+
+  FORCE on cell =-STRESS in cart. coord.  units (eV):
+  Direction    XX          YY          ZZ          XY          YZ          ZX
+  --------------------------------------------------------------------------------------
+  Alpha Z    21.84579    21.84579    21.84579
+  Ewald    -351.12914  -351.12914  -352.18815     0.00000     0.00000     0.00000
+  Hartree   274.99096   274.99096   270.23722     0.00000     0.00000     0.00000
+  E(xc)    -153.49776  -153.49776  -152.83289     0.00000     0.00000     0.00000
+  Local    -395.09068  -395.09068  -445.17366     0.00000     0.00000     0.00000
+  n-local   -58.78000   -56.81350   -74.23807     0.47439     0.01640     0.02400
+  augment    11.85050    11.85050    18.95196     0.00000     0.00000     0.00000
+  Kinetic   651.99158   644.45502   712.24911    -2.08031    -0.06194    -0.09379
+  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+  -------------------------------------------------------------------------------------
+  Total      -0.60377    -0.60377    -1.14869     0.00000     0.00000     0.00000
+  in kB      -3.84216    -3.84216    -7.30982     0.00000     0.00000     0.00000
+  external pressure =       -5.00 kB  Pullay stress =        0.00 kB
+
+
+ VOLUME and BASIS-vectors are now :
+ -----------------------------------------------------------------------------
+  energy-cutoff  :      400.00
+  volume of cell :      251.77
+      direct lattice vectors                 reciprocal lattice vectors
+     4.353122317  0.000000000  0.000000000     0.229720170  0.000000000  0.000000000
+     0.000000000  4.353122317  0.000000000     0.000000000  0.229720170  0.000000000
+     0.000000000  0.000000000 13.286359740     0.000000000  0.000000000  0.075265161
+
+  length of vectors
+     4.353122317  4.353122317 13.286359740     0.229720170  0.229720170  0.075265161
+
+
+ FORCES acting on ions
+    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
+ -----------------------------------------------------------------------------------------------
+   -.480E-15 -.362E-15 -.299E-14   -.500E-16 -.336E-15 0.628E-15   0.102E-28 0.116E-28 0.000E+00   -.381E-14 -.175E-13 0.300E-13
+   0.176E-12 -.374E-12 -.295E+02   0.108E-14 -.637E-15 0.294E+02   -.943E-19 -.183E-18 0.415E+00   -.243E-13 0.900E-13 -.395E+00
+   0.178E-12 -.138E-11 0.295E+02   0.601E-15 0.373E-15 -.294E+02   0.943E-19 0.183E-18 -.415E+00   -.977E-13 0.408E-14 0.395E+00
+   0.690E-13 -.770E-12 0.678E+02   0.128E-14 -.712E-16 -.654E+02   0.310E-18 0.279E-18 -.126E+01   -.549E-13 -.237E-13 -.151E+01
+   0.746E-13 -.640E-12 -.678E+02   -.948E-15 -.749E-15 0.654E+02   -.310E-18 -.306E-18 0.126E+01   -.262E-14 -.161E-12 0.151E+01
+   0.746E-13 0.829E-15 -.163E-12   0.128E-15 0.918E-15 -.284E-13   0.219E-30 0.250E-30 0.000E+00   -.301E-13 0.411E-13 0.258E-13
+   0.599E-15 0.781E-13 0.237E-12   -.968E-15 0.111E-14 -.284E-13   -.222E-29 -.254E-29 0.000E+00   -.123E-13 -.483E-13 -.146E-13
+ -----------------------------------------------------------------------------------------------
+   0.572E-12 -.308E-11 0.147E-11   0.113E-14 0.606E-15 0.426E-13   0.152E-29 -.271E-19 -.222E-15   -.226E-12 -.116E-12 0.322E-12
+ 
+ 
+ POSITION                                       TOTAL-FORCE (eV/Angst)
+ -----------------------------------------------------------------------------------
+      0.00000      0.00000      0.00000         0.000000      0.000000      0.000000
+      2.17656      2.17656     11.45359         0.000000      0.000000     -0.034967
+      2.17656      2.17656      1.83277         0.000000      0.000000      0.034967
+      2.17656      2.17656      4.56014         0.000000      0.000000     -0.374691
+      2.17656      2.17656      8.72622         0.000000      0.000000      0.374691
+      2.17656      0.00000      6.64318         0.000000      0.000000      0.000000
+      0.00000      2.17656      6.64318         0.000000      0.000000      0.000000
+ -----------------------------------------------------------------------------------
+    total drift:                                0.000000      0.000000      0.000000
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
+  ---------------------------------------------------
+  free  energy   TOTEN  =       -17.704199 eV
+
+  energy  without entropy=      -17.704199  energy(sigma->0) =      -17.704199
+ 
+ d Force = 0.1071610E-02[ 0.523E-03, 0.162E-02]  d Energy = 0.6357561E-01-0.625E-01
+ d Force = 0.1056307E+01[ 0.104E+01, 0.107E+01]  d Ewald  = 0.1601194E+02-0.150E+02
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+    POTLOK:  cpu time    0.62: real time    0.62
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+    WAVPRE:  cpu time    0.01: real time    0.02
+    FEWALD:  cpu time    0.00: real time    0.00
+    GENKIN:  cpu time    0.00: real time    0.00
+    ORTHCH:  cpu time    0.09: real time    0.09
+     LOOP+:  cpu time   22.09: real time   22.78
+
+
+----------------------------------------- Iteration    6(   1)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.60: real time    2.60
+ BZINTS: Fermi energy: -3.284352; 36.000000 electrons
+         Band energy:-312.611349;  BLOECHL correction: -0.004943
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.33: real time    3.36
+
+ eigenvalue-minimisations  :  1048
+ total energy-change (2. order) :-0.1720389E+01  (-0.4038373E+01)
+ number of electron      35.9999998 magnetization      17.5972202
+ augmentation part        1.3059013 magnetization       1.8114783
+
+ Broyden mixing:
+  rms(total) = 0.13105E+01    rms(broyden)= 0.13080E+01
+  rms(prec ) = 0.15899E+01
+  weight for this iteration     100.00
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        23.84706095
+  Ewald energy   TEWEN  =     -1087.66179925
+  -1/2 Hartree   DENC   =      -850.10819826
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       147.44495428
+  PAW double counting   =      1001.44744876    -1011.33443925
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -312.61134898
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -19.42269615 eV
+
+  energy without entropy =      -19.42269615  energy(sigma->0) =      -19.42269615
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    6(   2)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.17
+    SETDIJ:  cpu time    0.44: real time    0.45
+     EDDAV:  cpu time    2.72: real time    2.72
+ BZINTS: Fermi energy: -4.247397; 36.000000 electrons
+         Band energy:-356.149208;  BLOECHL correction: -0.025175
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.45: real time    3.52
+
+ eigenvalue-minimisations  :  1122
+ total energy-change (2. order) : 0.8087993E+00  (-0.2735587E+01)
+ number of electron      36.0000021 magnetization      17.1789213
+ augmentation part        1.7581927 magnetization       5.1040395
+
+ Broyden mixing:
+  rms(total) = 0.19349E+01    rms(broyden)= 0.19335E+01
+  rms(prec ) = 0.23325E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.3347
+  0.3347
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        23.84706095
+  Ewald energy   TEWEN  =     -1087.66179925
+  -1/2 Hartree   DENC   =      -804.52250425
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       145.96445067
+  PAW double counting   =       958.84525845     -968.49078140
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -356.14920763
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -18.61389685 eV
+
+  energy without entropy =      -18.61389685  energy(sigma->0) =      -18.61389685
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    6(   3)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.17
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.85: real time    2.86
+ BZINTS: Fermi energy: -3.422564; 36.000000 electrons
+         Band energy:-342.712841;  BLOECHL correction: -0.007661
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.58: real time    3.73
+
+ eigenvalue-minimisations  :  1188
+ total energy-change (2. order) : 0.2397048E+01  (-0.5651103E+00)
+ number of electron      36.0000021 magnetization      16.7993887
+ augmentation part        1.6756888 magnetization       4.7114432
+
+ Broyden mixing:
+  rms(total) = 0.11896E+01    rms(broyden)= 0.11894E+01
+  rms(prec ) = 0.15997E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.6833
+  0.6833  0.6833
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        23.84706095
+  Ewald energy   TEWEN  =     -1087.66179925
+  -1/2 Hartree   DENC   =      -813.66763118
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       144.38792310
+  PAW double counting   =       982.01042427     -991.97361171
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -342.71284051
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -16.21684872 eV
+
+  energy without entropy =      -16.21684872  energy(sigma->0) =      -16.21684872
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    6(   4)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.80: real time    2.80
+ BZINTS: Fermi energy: -3.973624; 36.000000 electrons
+         Band energy:-339.035306;  BLOECHL correction:  0.000000
+       DOS:  cpu time    0.00: real time    0.00
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.52: real time    3.65
+
+ eigenvalue-minimisations  :  1162
+ total energy-change (2. order) :-0.3826312E-01  (-0.8980185E+00)
+ number of electron      36.0000006 magnetization      17.0875779
+ augmentation part        1.3082423 magnetization      -0.2822867
+
+ Broyden mixing:
+  rms(total) = 0.14895E+01    rms(broyden)= 0.14886E+01
+  rms(prec ) = 0.17332E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.4269
+  0.5391  0.5391  0.2023
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        23.84706095
+  Ewald energy   TEWEN  =     -1087.66179925
+  -1/2 Hartree   DENC   =      -817.55999702
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       144.59196717
+  PAW double counting   =       991.55962754    -1001.55029048
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -339.03530634
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -16.25511184 eV
+
+  energy without entropy =      -16.25511184  energy(sigma->0) =      -16.25511184
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    6(   5)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.17
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.68: real time    2.68
+ BZINTS: Fermi energy: -4.099932; 36.000000 electrons
+         Band energy:-346.007780;  BLOECHL correction: -0.020942
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.41: real time    3.48
+
+ eigenvalue-minimisations  :  1096
+ total energy-change (2. order) :-0.9916052E+00  (-0.1193519E+00)
+ number of electron      35.9999997 magnetization      17.1698445
+ augmentation part        1.5370634 magnetization       2.6359862
+
+ Broyden mixing:
+  rms(total) = 0.40645E+00    rms(broyden)= 0.40292E+00
+  rms(prec ) = 0.47270E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.4640
+  0.6138  0.6138  0.3142  0.3142
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        23.84706095
+  Ewald energy   TEWEN  =     -1087.66179925
+  -1/2 Hartree   DENC   =      -810.73118958
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.59972520
+  PAW double counting   =       985.87968296     -995.72604306
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -346.00777980
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.24671699 eV
+
+  energy without entropy =      -17.24671699  energy(sigma->0) =      -17.24671699
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    6(   6)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.63: real time    2.63
+ BZINTS: Fermi energy: -4.159228; 36.000000 electrons
+         Band energy:-349.466280;  BLOECHL correction: -0.032176
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.37: real time    3.45
+
+ eigenvalue-minimisations  :  1072
+ total energy-change (2. order) :-0.3109290E+00  (-0.5427459E-01)
+ number of electron      35.9999995 magnetization      17.2562504
+ augmentation part        1.5653956 magnetization       2.6474897
+
+ Broyden mixing:
+  rms(total) = 0.33638E+00    rms(broyden)= 0.33558E+00
+  rms(prec ) = 0.40598E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.6080
+  0.8137  0.8137  0.4298  0.4298  0.5531
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        23.84706095
+  Ewald energy   TEWEN  =     -1087.66179925
+  -1/2 Hartree   DENC   =      -807.67838150
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.60095717
+  PAW double counting   =       987.88237773     -997.63520630
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -349.46628039
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.55764599 eV
+
+  energy without entropy =      -17.55764599  energy(sigma->0) =      -17.55764599
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    6(   7)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.81: real time    2.81
+ BZINTS: Fermi energy: -4.259067; 36.000000 electrons
+         Band energy:-350.460316;  BLOECHL correction:  0.000000
+       DOS:  cpu time    0.00: real time    0.00
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.53: real time    3.66
+
+ eigenvalue-minimisations  :  1168
+ total energy-change (2. order) : 0.4774960E-01  (-0.1071577E-01)
+ number of electron      35.9999986 magnetization      17.5401331
+ augmentation part        1.5160027 magnetization       1.9550361
+
+ Broyden mixing:
+  rms(total) = 0.38688E+00    rms(broyden)= 0.38598E+00
+  rms(prec ) = 0.43171E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.8767
+  1.5915  1.5915  0.3938  0.3938  0.5301  0.7594
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        23.84706095
+  Ewald energy   TEWEN  =     -1087.66179925
+  -1/2 Hartree   DENC   =      -806.62042040
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.64579050
+  PAW double counting   =       994.13236746    -1003.94620534
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -350.46031592
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.50989639 eV
+
+  energy without entropy =      -17.50989639  energy(sigma->0) =      -17.50989639
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    6(   8)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.20
+    SETDIJ:  cpu time    0.44: real time    0.45
+     EDDAV:  cpu time    2.55: real time    2.55
+ BZINTS: Fermi energy: -4.100750; 36.000000 electrons
+         Band energy:-350.536145;  BLOECHL correction: -0.025264
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.26: real time    3.37
+
+ eigenvalue-minimisations  :  1028
+ total energy-change (2. order) :-0.3390572E+00  (-0.2529902E-01)
+ number of electron      36.0000019 magnetization      17.3298396
+ augmentation part        1.7354021 magnetization       5.2604342
+
+ Broyden mixing:
+  rms(total) = 0.15261E+01    rms(broyden)= 0.15245E+01
+  rms(prec ) = 0.18440E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.6821
+  0.9027  0.9027  0.8923  0.8923  0.3897  0.3897  0.4054
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        23.84706095
+  Ewald energy   TEWEN  =     -1087.66179925
+  -1/2 Hartree   DENC   =      -807.24821562
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       144.03436574
+  PAW double counting   =      1000.13235230    -1009.97019817
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -350.53614513
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.84895358 eV
+
+  energy without entropy =      -17.84895358  energy(sigma->0) =      -17.84895358
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    6(   9)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.59: real time    2.60
+ BZINTS: Fermi energy: -4.355028; 36.000000 electrons
+         Band energy:-350.839350;  BLOECHL correction: -0.000035
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.33: real time    3.41
+
+ eigenvalue-minimisations  :  1054
+ total energy-change (2. order) : 0.3913223E+00  (-0.2802798E+00)
+ number of electron      35.9999987 magnetization      17.3355939
+ augmentation part        1.5099086 magnetization       1.7375787
+
+ Broyden mixing:
+  rms(total) = 0.35347E+00    rms(broyden)= 0.34826E+00
+  rms(prec ) = 0.40646E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.7963
+  1.4221  1.2230  1.2230  0.6769  0.6769  0.3957  0.3957  0.3570
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        23.84706095
+  Ewald energy   TEWEN  =     -1087.66179925
+  -1/2 Hartree   DENC   =      -806.12053745
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.65961025
+  PAW double counting   =      1002.41086029    -1012.30710132
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -350.83935032
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.45763125 eV
+
+  energy without entropy =      -17.45763125  energy(sigma->0) =      -17.45763125
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    6(  10)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.61: real time    2.61
+ BZINTS: Fermi energy: -4.343830; 36.000000 electrons
+         Band energy:-350.604636;  BLOECHL correction:  0.000000
+       DOS:  cpu time    0.00: real time    0.00
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.33: real time    3.56
+
+ eigenvalue-minimisations  :  1058
+ total energy-change (2. order) :-0.3561577E-01  (-0.3599038E-02)
+ number of electron      35.9999987 magnetization      17.3691729
+ augmentation part        1.5104515 magnetization       1.7751916
+
+ Broyden mixing:
+  rms(total) = 0.32010E+00    rms(broyden)= 0.31983E+00
+  rms(prec ) = 0.37090E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.8104
+  2.0948  1.0624  1.0624  0.7427  0.3957  0.3957  0.5578  0.5578  0.4243
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        23.84706095
+  Ewald energy   TEWEN  =     -1087.66179925
+  -1/2 Hartree   DENC   =      -806.27071168
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.56807850
+  PAW double counting   =      1005.38349656    -1015.30836149
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -350.60463622
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.49324702 eV
+
+  energy without entropy =      -17.49324702  energy(sigma->0) =      -17.49324702
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    6(  11)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.54: real time    2.55
+ BZINTS: Fermi energy: -4.307300; 36.000000 electrons
+         Band energy:-350.478958;  BLOECHL correction:  0.000000
+       DOS:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.17: real time    3.26
+
+ eigenvalue-minimisations  :  1020
+ total energy-change (2. order) :-0.9548531E-03  (-0.1755946E-02)
+ number of electron      35.9999987 magnetization      17.3691729
+ augmentation part        1.5104515 magnetization       1.7751916
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        23.84706095
+  Ewald energy   TEWEN  =     -1087.66179925
+  -1/2 Hartree   DENC   =      -806.43464631
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.62652801
+  PAW double counting   =      1007.84779748    -1017.79381041
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -350.47895795
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.49420187 eV
+
+  energy without entropy =      -17.49420187  energy(sigma->0) =      -17.49420187
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+ average (electrostatic) potential at core
+  the test charge radii are     0.6991  0.7215  0.7089
+  (the norm of the test charge is              1.0000)
+       1 -60.5042       2 -79.9130       3 -79.9130       4 -72.1064       5 -72.1064
+       6 -72.1287       7 -72.1287
+ 
+ 
+ 
+ E-fermi :  -4.3073     XC(G=0):  -5.4564     alpha+bet : -2.5919
+
+
+ spin component 1
+
+ k-point   1 :       0.0000    0.0000    0.0000
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+
+ k-point   2 :       0.3333    0.0000    0.0000
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+
+ k-point   3 :       0.3333    0.3333    0.0000
+  band No.  band energies     occupation 
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+
+ k-point   4 :       0.0000    0.0000    0.3333
+  band No.  band energies     occupation 
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+
+ k-point   5 :       0.3333    0.0000    0.3333
+  band No.  band energies     occupation 
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+
+ k-point   6 :       0.3333    0.3333    0.3333
+  band No.  band energies     occupation 
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+
+ spin component 2
+
+ k-point   1 :       0.0000    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -19.0030      1.00000
+      2     -18.9640      1.00000
+      3     -13.4858      1.00000
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+
+ k-point   2 :       0.3333    0.0000    0.0000
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+
+ k-point   3 :       0.3333    0.3333    0.0000
+  band No.  band energies     occupation 
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+
+ k-point   4 :       0.0000    0.0000    0.3333
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+     36       8.8732      0.00000
+     37       9.7392      0.00000
+     38       9.8856      0.00000
+     39      10.5874      0.00000
+     40      10.5874      0.00000
+     41      11.0111      0.00000
+     42      11.0111      0.00000
+
+ k-point   5 :       0.3333    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -18.9907      1.00000
+      2     -18.9540      1.00000
+      3     -13.1583      1.00000
+      4     -12.4495      1.00000
+      5     -12.2781      1.00000
+      6     -11.9645      1.00000
+      7     -10.7029      1.00000
+      8      -5.0870      1.00000
+      9      -4.7353      1.00000
+     10      -4.2680      0.00000
+     11      -4.0927      0.00000
+     12      -3.8855      0.00000
+     13      -3.8136      0.00000
+     14      -2.8440      0.00000
+     15      -2.3958      0.00000
+     16      -2.3102      0.00000
+     17      -2.0048      0.00000
+     18      -1.9855      0.00000
+     19      -1.6528      0.00000
+     20      -1.4256      0.00000
+     21      -1.4130      0.00000
+     22      -0.9500      0.00000
+     23      -0.9308      0.00000
+     24      -0.8474      0.00000
+     25      -0.4026      0.00000
+     26      -0.0849      0.00000
+     27      -0.0347      0.00000
+     28      -0.0317      0.00000
+     29       3.9928      0.00000
+     30       4.3055      0.00000
+     31       6.0577      0.00000
+     32       6.4392      0.00000
+     33       6.5070      0.00000
+     34       7.0718      0.00000
+     35       8.0754      0.00000
+     36       8.2902      0.00000
+     37       9.0307      0.00000
+     38       9.9920      0.00000
+     39      10.3604      0.00000
+     40      10.4224      0.00000
+     41      10.8246      0.00000
+     42      10.8743      0.00000
+
+ k-point   6 :       0.3333    0.3333    0.3333
+  band No.  band energies     occupation 
+      1     -18.9796      1.00000
+      2     -18.9442      1.00000
+      3     -12.8805      1.00000
+      4     -12.4084      1.00000
+      5     -12.2987      1.00000
+      6     -12.1675      1.00000
+      7     -10.6285      1.00000
+      8      -5.0446      1.00000
+      9      -4.7264      1.00000
+     10      -4.2394      0.00000
+     11      -4.1480      0.00000
+     12      -4.1454      0.00000
+     13      -4.0202      0.00000
+     14      -3.0239      0.00000
+     15      -2.9150      0.00000
+     16      -2.3685      0.00000
+     17      -2.3377      0.00000
+     18      -2.1394      0.00000
+     19      -1.8260      0.00000
+     20      -1.7154      0.00000
+     21      -1.3801      0.00000
+     22      -1.2009      0.00000
+     23      -1.0617      0.00000
+     24      -0.1412      0.00000
+     25      -0.1297      0.00000
+     26      -0.0516      0.00000
+     27       0.0161      0.00000
+     28       0.3122      0.00000
+     29       4.7390      0.00000
+     30       5.0725      0.00000
+     31       6.5476      0.00000
+     32       7.0387      0.00000
+     33       7.1339      0.00000
+     34       7.1503      0.00000
+     35       7.7273      0.00000
+     36       7.9764      0.00000
+     37       8.2066      0.00000
+     38       8.7206      0.00000
+     39       8.7691      0.00000
+     40       9.4827      0.00000
+     41       9.6848      0.00000
+     42      10.7100      0.00000
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+ soft charge-density along one line, spin component           1
+         0         1         2         3         4         5         6         7         8         9
+ total charge-density along one line
+ 
+ soft charge-density along one line, spin component           2
+         0         1         2         3         4         5         6         7         8         9
+ total charge-density along one line
+ 
+ pseudopotential strength for first ion, spin component:           1
+ 10.483   0.029   0.000   0.000   0.000   0.000   0.000   0.000
+  0.029  -0.001   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000  -4.548   0.000   0.000  -0.030   0.000   0.000
+  0.000   0.000   0.000  -4.517   0.000   0.000  -0.017   0.000
+  0.000   0.000   0.000   0.000  -4.548   0.000   0.000  -0.030
+  0.000   0.000  -0.030   0.000   0.000  -0.775   0.000   0.000
+  0.000   0.000   0.000  -0.017   0.000   0.000  -0.774   0.000
+  0.000   0.000   0.000   0.000  -0.030   0.000   0.000  -0.775
+ pseudopotential strength for first ion, spin component:           2
+ 10.036   0.005   0.000   0.000   0.000   0.000   0.000   0.000
+  0.005  -0.001   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000  -4.495   0.000   0.000   0.078   0.000   0.000
+  0.000   0.000   0.000  -4.483   0.000   0.000   0.057   0.000
+  0.000   0.000   0.000   0.000  -4.495   0.000   0.000   0.078
+  0.000   0.000   0.078   0.000   0.000  -0.766   0.000   0.000
+  0.000   0.000   0.000   0.057   0.000   0.000  -0.766   0.000
+  0.000   0.000   0.000   0.000   0.078   0.000   0.000  -0.766
+ total augmentation occupancy for first ion, spin component:           1
+  2.032   0.154   0.000   0.000   0.000   0.000   0.000   0.000
+  0.154   0.023   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   1.116   0.000   0.000  -0.019   0.000   0.000
+  0.000   0.000   0.000   0.082   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000   0.000   1.116   0.000   0.000  -0.019
+  0.000   0.000  -0.019   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000   0.000  -0.019   0.000   0.000   0.000
+ total augmentation occupancy for first ion, spin component:           2
+  0.055  -0.107   0.000   0.000   0.000   0.000   0.000   0.000
+ -0.107  -0.014   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   1.106   0.000   0.000  -0.020   0.000   0.000
+  0.000   0.000   0.000   0.077   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000   0.000   1.106   0.000   0.000  -0.020
+  0.000   0.000  -0.020   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000   0.000  -0.020   0.000   0.000   0.000
+
+
+------------------------ aborting loop because EDIFF is reached ----------------------------------------
+
+
+ 
+
+
+ total charge     
+ 
+# of ion     s       p       d       tot
+----------------------------------------
+  1        1.065   1.033   0.000   2.098
+  2        1.624   2.860   0.000   4.484
+  3        1.624   2.860   0.000   4.484
+  4        1.365   1.928   0.000   3.293
+  5        1.365   1.928   0.000   3.293
+  6        1.364   1.930   0.000   3.294
+  7        1.362   1.934   0.000   3.296
+------------------------------------------------
+tot        9.768  14.472   0.000  24.241
+ 
+
+
+ magnetization (x)
+ 
+# of ion     s       p       d       tot
+----------------------------------------
+  1        0.036   1.022   0.000   1.058
+  2        0.018   1.554   0.000   1.573
+  3        0.018   1.554   0.000   1.573
+  4        0.046   1.890   0.000   1.936
+  5        0.046   1.890   0.000   1.936
+  6        0.050   1.924   0.000   1.975
+  7        0.052   1.928   0.000   1.980
+------------------------------------------------
+tot        0.266  11.763   0.000  12.029
+ 
+    CHARGE:  cpu time    0.10: real time    0.10
+    FORLOC:  cpu time    0.01: real time    0.01
+    FORNL :  cpu time    0.40: real time    0.40
+    STRESS:  cpu time    0.54: real time    0.54
+    FORHAR:  cpu time    0.03: real time    0.03
+    MIXING:  cpu time    0.01: real time    0.01
+
+  FORCE on cell =-STRESS in cart. coord.  units (eV):
+  Direction    XX          YY          ZZ          XY          YZ          ZX
+  --------------------------------------------------------------------------------------
+  Alpha Z    23.84706    23.84706    23.84706
+  Ewald    -357.56539  -357.56539  -372.53189     0.00000     0.00000     0.00000
+  Hartree   272.93439   272.93439   251.72214     0.00000     0.00000     0.00000
+  E(xc)    -153.68067  -153.68067  -153.22774     0.00000     0.00000     0.00000
+  Local    -396.26062  -396.26062  -392.38414     0.00000     0.00000     0.00000
+  n-local   -60.71763   -61.58894   -68.57818     0.07446     0.00231     0.00189
+  augment    11.81669    11.81669    18.92436     0.00000     0.00000     0.00000
+  Kinetic   658.77166   662.76769   691.94953    -0.52282    -0.00995    -0.00476
+  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+  -------------------------------------------------------------------------------------
+  Total       0.70785     0.70785    -0.27887     0.00000     0.00000     0.00000
+  in kB       4.91714     4.91714    -1.93719     0.00000     0.00000     0.00000
+  external pressure =        2.63 kB  Pullay stress =        0.00 kB
+
+
+ VOLUME and BASIS-vectors are now :
+ -----------------------------------------------------------------------------
+  energy-cutoff  :      400.00
+  volume of cell :      230.64
+      direct lattice vectors                 reciprocal lattice vectors
+     4.206927727  0.000000000  0.000000000     0.237703157  0.000000000  0.000000000
+     0.000000000  4.206927727  0.000000000     0.000000000  0.237703157  0.000000000
+     0.000000000  0.000000000 13.031984164     0.000000000  0.000000000  0.076734286
+
+  length of vectors
+     4.206927727  4.206927727 13.031984164     0.237703157  0.237703157  0.076734286
+
+
+ FORCES acting on ions
+    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
+ -----------------------------------------------------------------------------------------------
+   -.580E-15 -.369E-15 -.270E-14   -.196E-14 -.106E-14 -.344E-14   0.417E-30 0.476E-30 0.000E+00   -.267E-14 0.523E-14 0.529E-13
+   0.162E-12 -.470E-12 -.240E+02   0.440E-15 0.739E-15 0.256E+02   0.700E-20 -.888E-19 0.315E+00   -.412E-13 -.496E-13 -.194E+01
+   0.161E-12 -.537E-12 0.240E+02   0.291E-14 0.473E-15 -.256E+02   -.341E-19 0.143E-18 -.315E+00   -.624E-13 -.144E-12 0.194E+01
+   0.649E-13 -.534E-12 0.735E+02   0.213E-14 0.683E-15 -.714E+02   0.437E-18 0.753E-18 -.147E+01   0.181E-13 -.223E-13 -.107E+01
+   0.660E-13 -.147E-16 -.735E+02   -.249E-14 -.371E-15 0.714E+02   -.437E-18 -.645E-18 0.147E+01   -.644E-13 0.918E-14 0.107E+01
+   0.716E-13 0.787E-15 -.152E-12   0.116E-14 0.125E-14 -.142E-13   0.147E-28 0.168E-28 0.000E+00   -.267E-13 -.452E-13 -.695E-13
+   0.388E-15 0.738E-13 0.224E-12   -.110E-14 -.115E-14 -.213E-13   -.137E-28 -.157E-28 0.000E+00   -.127E-13 -.791E-14 -.599E-13
+ -----------------------------------------------------------------------------------------------
+   0.525E-12 -.147E-11 0.138E-11   0.108E-14 0.571E-15 -.213E-13   -.271E-19 0.163E-18 -.222E-15   -.192E-12 -.255E-12 0.259E-12
+ 
+ 
+ POSITION                                       TOTAL-FORCE (eV/Angst)
+ -----------------------------------------------------------------------------------
+      0.00000      0.00000      0.00000         0.000000      0.000000      0.000000
+      2.10346      2.10346     11.26072         0.000000      0.000000     -0.043415
+      2.10346      2.10346      1.77126         0.000000      0.000000      0.043415
+      2.10346      2.10346      4.46898         0.000000      0.000000     -0.474342
+      2.10346      2.10346      8.56300         0.000000      0.000000      0.474342
+      2.10346      0.00000      6.51599         0.000000      0.000000      0.000000
+      0.00000      2.10346      6.51599         0.000000      0.000000      0.000000
+ -----------------------------------------------------------------------------------
+    total drift:                                0.000000      0.000000      0.000000
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
+  ---------------------------------------------------
+  free  energy   TOTEN  =       -17.494202 eV
+
+  energy  without entropy=      -17.494202  energy(sigma->0) =      -17.494202
+ 
+ d Force = 0.1195978E-02[ 0.136E-02, 0.104E-02]  d Energy =-0.2099969E+00 0.211E+00
+ d Force = 0.1980867E+01[ 0.190E+01, 0.206E+01]  d Ewald  = 0.3321625E+02-0.312E+02
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+    POTLOK:  cpu time    0.62: real time    0.62
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+    WAVPRE:  cpu time    0.01: real time    0.01
+    FEWALD:  cpu time    0.00: real time    0.00
+    GENKIN:  cpu time    0.00: real time    0.00
+    ORTHCH:  cpu time    0.09: real time    0.09
+     LOOP+:  cpu time   39.54: real time   40.96
+
+
+----------------------------------------- Iteration    7(   1)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.17
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.56: real time    2.56
+ BZINTS: Fermi energy: -4.790222; 36.000000 electrons
+         Band energy:-369.813549;  BLOECHL correction: -0.030957
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.29: real time    3.31
+
+ eigenvalue-minimisations  :  1034
+ total energy-change (2. order) :-0.2859465E+00  (-0.5675212E+00)
+ number of electron      35.9999986 magnetization      17.1698815
+ augmentation part        1.6356467 magnetization       2.8198842
+
+ Broyden mixing:
+  rms(total) = 0.49017E+00    rms(broyden)= 0.48953E+00
+  rms(prec ) = 0.58450E+00
+  weight for this iteration     100.00
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        23.04740055
+  Ewald energy   TEWEN  =     -1074.65324756
+  -1/2 Hartree   DENC   =      -798.08965212
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       142.11916862
+  PAW double counting   =      1008.15506676    -1018.09800677
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -369.81354858
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.77919349 eV
+
+  energy without entropy =      -17.77919349  energy(sigma->0) =      -17.77919349
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    7(   2)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.17
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.77: real time    2.77
+ BZINTS: Fermi energy: -4.517003; 36.000258 electrons
+         Band energy:-354.247986;  BLOECHL correction: -0.000063
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.50: real time    3.58
+
+ eigenvalue-minimisations  :  1144
+ total energy-change (2. order) : 0.1728719E+00  (-0.1116755E+01)
+ number of electron      36.0002570 magnetization      17.3688967
+ augmentation part        1.3840580 magnetization       0.0369333
+
+ Broyden mixing:
+  rms(total) = 0.13634E+01    rms(broyden)= 0.13615E+01
+  rms(prec ) = 0.16085E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.1864
+  0.1864
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        23.04740055
+  Ewald energy   TEWEN  =     -1074.65324756
+  -1/2 Hartree   DENC   =      -814.96262431
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.75069112
+  PAW double counting   =      1026.67017967    -1036.76436103
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -354.24798564
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.60632159 eV
+
+  energy without entropy =      -17.60632159  energy(sigma->0) =      -17.60632159
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    7(   3)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.17
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.68: real time    2.68
+ BZINTS: Fermi energy: -4.633118; 36.017137 electrons
+         Band energy:-358.182006;  BLOECHL correction: -0.000419
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.41: real time    3.48
+
+ eigenvalue-minimisations  :  1096
+ total energy-change (2. order) :-0.1391068E+00  (-0.6439956E-01)
+ number of electron      36.0171349 magnetization      17.3524935
+ augmentation part        1.4543161 magnetization       1.6894175
+
+ Broyden mixing:
+  rms(total) = 0.93445E+00    rms(broyden)= 0.93217E+00
+  rms(prec ) = 0.12813E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.2043
+  0.2043  0.2043
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        23.04740055
+  Ewald energy   TEWEN  =     -1074.65324756
+  -1/2 Hartree   DENC   =      -810.82626821
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.32449064
+  PAW double counting   =      1018.05515393    -1028.06457706
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -358.18200627
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.74542838 eV
+
+  energy without entropy =      -17.74542838  energy(sigma->0) =      -17.74542838
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    7(   4)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.69: real time    2.70
+ BZINTS: Fermi energy: -4.612458; 36.000000 electrons
+         Band energy:-358.404772;  BLOECHL correction: -0.007884
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.43: real time    3.51
+
+ eigenvalue-minimisations  :  1110
+ total energy-change (2. order) : 0.1812737E+00  (-0.1593748E+00)
+ number of electron      35.9999979 magnetization      17.3824124
+ augmentation part        1.5283391 magnetization       1.8084464
+
+ Broyden mixing:
+  rms(total) = 0.40353E+00    rms(broyden)= 0.40234E+00
+  rms(prec ) = 0.44616E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.1791
+  0.2348  0.2348  0.0677
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        23.04740055
+  Ewald energy   TEWEN  =     -1074.65324756
+  -1/2 Hartree   DENC   =      -810.35661933
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.26896206
+  PAW double counting   =      1017.62705053    -1027.64655437
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -358.40477213
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.56415465 eV
+
+  energy without entropy =      -17.56415465  energy(sigma->0) =      -17.56415465
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    7(   5)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.45
+     EDDAV:  cpu time    2.61: real time    2.62
+ BZINTS: Fermi energy: -4.589444; 36.000000 electrons
+         Band energy:-358.095364;  BLOECHL correction: -0.014658
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.33: real time    3.42
+
+ eigenvalue-minimisations  :  1038
+ total energy-change (2. order) :-0.1118872E+00  (-0.3747333E-01)
+ number of electron      35.9999981 magnetization      17.3831020
+ augmentation part        1.5140280 magnetization       1.7903135
+
+ Broyden mixing:
+  rms(total) = 0.48526E+00    rms(broyden)= 0.48493E+00
+  rms(prec ) = 0.55111E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.2448
+  0.3008  0.2760  0.2760  0.1264
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        23.04740055
+  Ewald energy   TEWEN  =     -1074.65324756
+  -1/2 Hartree   DENC   =      -810.85452492
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.31630821
+  PAW double counting   =      1016.81088010    -1026.80111956
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -358.09536424
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.67604181 eV
+
+  energy without entropy =      -17.67604181  energy(sigma->0) =      -17.67604181
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    7(   6)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.52: real time    2.52
+ BZINTS: Fermi energy: -4.591362; 36.000000 electrons
+         Band energy:-357.960297;  BLOECHL correction: -0.007591
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.25: real time    3.33
+
+ eigenvalue-minimisations  :  1004
+ total energy-change (2. order) : 0.7865223E-01  (-0.4176193E-02)
+ number of electron      35.9999981 magnetization      17.3831720
+ augmentation part        1.5126376 magnetization       1.7870119
+
+ Broyden mixing:
+  rms(total) = 0.52435E+00    rms(broyden)= 0.52434E+00
+  rms(prec ) = 0.59583E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.2653
+  0.2722  0.2722  0.1410  0.3205  0.3205
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        23.04740055
+  Ewald energy   TEWEN  =     -1074.65324756
+  -1/2 Hartree   DENC   =      -810.98794592
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.38448001
+  PAW double counting   =      1017.11616901    -1027.09757457
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -357.96029669
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.59738957 eV
+
+  energy without entropy =      -17.59738957  energy(sigma->0) =      -17.59738957
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    7(   7)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    1.81: real time    1.81
+ BZINTS: Fermi energy: -4.591305; 36.000000 electrons
+         Band energy:-357.961791;  BLOECHL correction: -0.007744
+       DOS:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    2.44: real time    2.65
+
+ eigenvalue-minimisations  :   608
+ total energy-change (2. order) : 0.1862908E-02  (-0.1700575E-03)
+ number of electron      35.9999981 magnetization      17.3831720
+ augmentation part        1.5126376 magnetization       1.7870119
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        23.04740055
+  Ewald energy   TEWEN  =     -1074.65324756
+  -1/2 Hartree   DENC   =      -810.98545235
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.38520728
+  PAW double counting   =      1017.10364879    -1027.08491761
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -357.96179137
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.59552667 eV
+
+  energy without entropy =      -17.59552667  energy(sigma->0) =      -17.59552667
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+ average (electrostatic) potential at core
+  the test charge radii are     0.6991  0.7215  0.7089
+  (the norm of the test charge is              1.0000)
+       1 -60.8170       2 -80.1521       3 -80.1521       4 -72.1682       5 -72.1682
+       6 -72.5687       7 -72.5687
+ 
+ 
+ 
+ E-fermi :  -4.5913     XC(G=0):  -5.4134     alpha+bet : -2.5050
+
+
+ spin component 1
+
+ k-point   1 :       0.0000    0.0000    0.0000
+  band No.  band energies     occupation 
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+      2     -22.4873      1.00000
+      3     -17.9981      1.00000
+      4     -17.0729      1.00000
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+      7     -13.4193      1.00000
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+     41       9.4942      0.00000
+     42       9.5025      0.00000
+
+ k-point   2 :       0.3333    0.0000    0.0000
+  band No.  band energies     occupation 
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+      2     -22.4814      1.00000
+      3     -17.7584      1.00000
+      4     -17.2040      1.00000
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+
+ k-point   3 :       0.3333    0.3333    0.0000
+  band No.  band energies     occupation 
+      1     -22.4954      1.00000
+      2     -22.4762      1.00000
+      3     -17.5731      1.00000
+      4     -17.2604      1.00000
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+
+ k-point   4 :       0.0000    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -22.5079      1.00000
+      2     -22.4872      1.00000
+      3     -17.9981      1.00000
+      4     -17.0730      1.00000
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+
+ k-point   5 :       0.3333    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -22.5013      1.00000
+      2     -22.4817      1.00000
+      3     -17.7584      1.00000
+      4     -17.2040      1.00000
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+      6     -16.8404      1.00000
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+     11      -8.0008      1.00000
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+     42       9.4555      0.00000
+
+ k-point   6 :       0.3333    0.3333    0.3333
+  band No.  band energies     occupation 
+      1     -22.4953      1.00000
+      2     -22.4760      1.00000
+      3     -17.5730      1.00000
+      4     -17.2604      1.00000
+      5     -17.0315      1.00000
+      6     -16.9416      1.00000
+      7     -13.3288      1.00000
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+     39       7.5498      0.00000
+     40       7.9633      0.00000
+     41       8.0714      0.00000
+     42       8.7382      0.00000
+
+ spin component 2
+
+ k-point   1 :       0.0000    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -19.1177      1.00000
+      2     -19.0833      1.00000
+      3     -13.6598      1.00000
+      4     -12.5212      1.00000
+      5     -12.2254      1.00000
+      6     -12.1705      1.00000
+      7     -10.9414      1.00000
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+
+ k-point   2 :       0.3333    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -19.1072      1.00000
+      2     -19.0746      1.00000
+      3     -13.3448      1.00000
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+     39      10.0835      0.00000
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+     41      10.4812      0.00000
+     42      10.5227      0.00000
+
+ k-point   3 :       0.3333    0.3333    0.0000
+  band No.  band energies     occupation 
+      1     -19.0978      1.00000
+      2     -19.0663      1.00000
+      3     -13.0887      1.00000
+      4     -12.6370      1.00000
+      5     -12.4442      1.00000
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+      7     -10.8228      1.00000
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+     31       6.2032      0.00000
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+
+ k-point   4 :       0.0000    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -19.1177      1.00000
+      2     -19.0833      1.00000
+      3     -13.6597      1.00000
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+      6     -12.1700      1.00000
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+      8      -5.1592      1.00000
+      9      -4.9022      1.00000
+     10      -4.0456      0.00000
+     11      -4.0456      0.00000
+     12      -3.9328      0.00000
+     13      -3.9328      0.00000
+     14      -3.0086      0.00000
+     15      -2.6264      0.00000
+     16      -2.6264      0.00000
+     17      -2.3908      0.00000
+     18      -1.8125      0.00000
+     19      -1.8125      0.00000
+     20      -1.1126      0.00000
+     21      -1.0835      0.00000
+     22      -1.0835      0.00000
+     23      -1.0182      0.00000
+     24      -0.8218      0.00000
+     25      -0.8218      0.00000
+     26      -0.4605      0.00000
+     27      -0.1644      0.00000
+     28      -0.1644      0.00000
+     29       2.6726      0.00000
+     30       3.1936      0.00000
+     31       4.8191      0.00000
+     32       5.7000      0.00000
+     33       6.8776      0.00000
+     34       7.1505      0.00000
+     35       8.3531      0.00000
+     36       8.5756      0.00000
+     37       9.4189      0.00000
+     38       9.6301      0.00000
+     39      10.3302      0.00000
+     40      10.3302      0.00000
+     41      10.6868      0.00000
+     42      10.6868      0.00000
+
+ k-point   5 :       0.3333    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -19.1072      1.00000
+      2     -19.0747      1.00000
+      3     -13.3447      1.00000
+      4     -12.5767      1.00000
+      5     -12.4819      1.00000
+      6     -12.1544      1.00000
+      7     -10.8894      1.00000
+      8      -5.2092      1.00000
+      9      -4.8806      1.00000
+     10      -4.2921      0.00000
+     11      -4.1750      0.00000
+     12      -3.9804      0.00000
+     13      -3.9117      0.00000
+     14      -2.7184      0.00000
+     15      -2.5218      0.00000
+     16      -2.5033      0.00000
+     17      -2.3163      0.00000
+     18      -2.2382      0.00000
+     19      -1.8442      0.00000
+     20      -1.7980      0.00000
+     21      -1.5781      0.00000
+     22      -1.1422      0.00000
+     23      -1.1228      0.00000
+     24      -1.0416      0.00000
+     25      -0.5618      0.00000
+     26      -0.3476      0.00000
+     27      -0.2499      0.00000
+     28      -0.2210      0.00000
+     29       3.8141      0.00000
+     30       4.1355      0.00000
+     31       5.7035      0.00000
+     32       6.1859      0.00000
+     33       6.2686      0.00000
+     34       6.7791      0.00000
+     35       7.7678      0.00000
+     36       7.9476      0.00000
+     37       8.6904      0.00000
+     38       9.6769      0.00000
+     39      10.0827      0.00000
+     40      10.1195      0.00000
+     41      10.4705      0.00000
+     42      10.5059      0.00000
+
+ k-point   6 :       0.3333    0.3333    0.3333
+  band No.  band energies     occupation 
+      1     -19.0977      1.00000
+      2     -19.0662      1.00000
+      3     -13.0886      1.00000
+      4     -12.6370      1.00000
+      5     -12.4445      1.00000
+      6     -12.3036      1.00000
+      7     -10.8228      1.00000
+      8      -5.1698      1.00000
+      9      -4.8728      1.00000
+     10      -4.3182      0.00000
+     11      -4.2267      0.00000
+     12      -4.1956      0.00000
+     13      -4.1019      0.00000
+     14      -3.1944      0.00000
+     15      -2.7640      0.00000
+     16      -2.6074      0.00000
+     17      -2.4665      0.00000
+     18      -2.2717      0.00000
+     19      -2.1875      0.00000
+     20      -2.0818      0.00000
+     21      -1.5053      0.00000
+     22      -1.2877      0.00000
+     23      -1.0746      0.00000
+     24      -0.5040      0.00000
+     25      -0.2739      0.00000
+     26      -0.2493      0.00000
+     27      -0.1721      0.00000
+     28      -0.1239      0.00000
+     29       4.5508      0.00000
+     30       4.8734      0.00000
+     31       6.1486      0.00000
+     32       6.7827      0.00000
+     33       6.8502      0.00000
+     34       6.8862      0.00000
+     35       7.4051      0.00000
+     36       7.7135      0.00000
+     37       7.9851      0.00000
+     38       8.4059      0.00000
+     39       8.4655      0.00000
+     40       9.1534      0.00000
+     41       9.3876      0.00000
+     42      10.3179      0.00000
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+ soft charge-density along one line, spin component           1
+         0         1         2         3         4         5         6         7         8         9
+ total charge-density along one line
+ 
+ soft charge-density along one line, spin component           2
+         0         1         2         3         4         5         6         7         8         9
+ total charge-density along one line
+ 
+ pseudopotential strength for first ion, spin component:           1
+ 10.530   0.030   0.000   0.000   0.000   0.000   0.000   0.000
+  0.030  -0.001   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000  -4.564   0.000   0.000  -0.030   0.000   0.000
+  0.000   0.000   0.000  -4.533   0.000   0.000  -0.027   0.000
+  0.000   0.000   0.000   0.000  -4.564   0.000   0.000  -0.030
+  0.000   0.000  -0.030   0.000   0.000  -0.775   0.000   0.000
+  0.000   0.000   0.000  -0.027   0.000   0.000  -0.775   0.000
+  0.000   0.000   0.000   0.000  -0.030   0.000   0.000  -0.775
+ pseudopotential strength for first ion, spin component:           2
+ 10.017   0.005   0.000   0.000   0.000   0.000   0.000   0.000
+  0.005  -0.001   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000  -4.477   0.000   0.000   0.067   0.000   0.000
+  0.000   0.000   0.000  -4.598   0.000   0.000   0.088   0.000
+  0.000   0.000   0.000   0.000  -4.477   0.000   0.000   0.067
+  0.000   0.000   0.067   0.000   0.000  -0.765   0.000   0.000
+  0.000   0.000   0.000   0.088   0.000   0.000  -0.766   0.000
+  0.000   0.000   0.000   0.000   0.067   0.000   0.000  -0.765
+ total augmentation occupancy for first ion, spin component:           1
+  2.040   0.171   0.000   0.000   0.000   0.000   0.000   0.000
+  0.171   0.022   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.675   0.000   0.000  -0.010   0.000   0.000
+  0.000   0.000   0.000   1.074   0.000   0.000  -0.011   0.000
+  0.000   0.000   0.000   0.000   0.675   0.000   0.000  -0.010
+  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000   0.000  -0.010   0.000   0.000   0.000
+ total augmentation occupancy for first ion, spin component:           2
+  0.058  -0.079   0.000   0.000   0.000   0.000   0.000   0.000
+ -0.079  -0.012   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.665   0.000   0.000  -0.010   0.000   0.000
+  0.000   0.000   0.000   1.070   0.000   0.000  -0.012   0.000
+  0.000   0.000   0.000   0.000   0.665   0.000   0.000  -0.010
+  0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000  -0.012   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000   0.000  -0.010   0.000   0.000   0.000
+
+
+------------------------ aborting loop because EDIFF is reached ----------------------------------------
+
+
+ 
+
+
+ total charge     
+ 
+# of ion     s       p       d       tot
+----------------------------------------
+  1        1.069   1.102   0.000   2.170
+  2        1.625   2.870   0.000   4.495
+  3        1.625   2.870   0.000   4.495
+  4        1.364   1.885   0.000   3.250
+  5        1.364   1.885   0.000   3.250
+  6        1.368   1.927   0.000   3.295
+  7        1.367   1.925   0.000   3.291
+------------------------------------------------
+tot        9.782  14.464   0.000  24.246
+ 
+
+
+ magnetization (x)
+ 
+# of ion     s       p       d       tot
+----------------------------------------
+  1        0.036   1.091   0.000   1.127
+  2        0.019   1.554   0.000   1.572
+  3        0.019   1.554   0.000   1.572
+  4        0.047   1.853   0.000   1.899
+  5        0.047   1.853   0.000   1.899
+  6        0.048   1.922   0.000   1.970
+  7        0.050   1.920   0.000   1.969
+------------------------------------------------
+tot        0.264  11.745   0.000  12.010
+ 
+    CHARGE:  cpu time    0.10: real time    0.10
+    FORLOC:  cpu time    0.01: real time    0.01
+    FORNL :  cpu time    0.40: real time    0.40
+    STRESS:  cpu time    0.54: real time    0.54
+    FORHAR:  cpu time    0.03: real time    0.03
+    MIXING:  cpu time    0.01: real time    0.01
+
+  FORCE on cell =-STRESS in cart. coord.  units (eV):
+  Direction    XX          YY          ZZ          XY          YZ          ZX
+  --------------------------------------------------------------------------------------
+  Alpha Z    23.04740    23.04740    23.04740
+  Ewald    -355.09147  -355.09147  -364.47119     0.00000     0.00000     0.00000
+  Hartree   268.91045   268.91045   261.79202     0.00000     0.00000     0.00000
+  E(xc)    -153.38046  -153.38046  -152.97827     0.00000     0.00000     0.00000
+  Local    -386.87143  -386.87143  -422.22075     0.00000     0.00000     0.00000
+  n-local   -59.89266   -57.79562   -73.38140     0.18322     0.06766     0.12063
+  augment    12.02607    12.02607    18.95555     0.00000     0.00000     0.00000
+  Kinetic   656.34462   648.35503   709.97895    -0.90751    -0.25889    -0.46299
+  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+  -------------------------------------------------------------------------------------
+  Total       2.14625     2.14625     0.72230     0.00000     0.00000     0.00000
+  in kB      14.40913    14.40913     4.84928     0.00000     0.00000     0.00000
+  external pressure =       11.22 kB  Pullay stress =        0.00 kB
+
+
+ VOLUME and BASIS-vectors are now :
+ -----------------------------------------------------------------------------
+  energy-cutoff  :      400.00
+  volume of cell :      238.65
+      direct lattice vectors                 reciprocal lattice vectors
+     4.263279727  0.000000000  0.000000000     0.234561198  0.000000000  0.000000000
+     0.000000000  4.263279727  0.000000000     0.000000000  0.234561198  0.000000000
+     0.000000000  0.000000000 13.130035484     0.000000000  0.000000000  0.076161256
+
+  length of vectors
+     4.263279727  4.263279727 13.130035484     0.234561198  0.234561198  0.076161256
+
+
+ FORCES acting on ions
+    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
+ -----------------------------------------------------------------------------------------------
+   -.521E-15 -.335E-15 -.312E-14   -.138E-14 -.778E-15 0.394E-13   0.815E-30 0.932E-30 0.000E+00   -.327E-14 -.889E-13 0.483E-13
+   0.169E-12 -.262E-12 -.226E+02   0.118E-14 0.618E-15 0.272E+02   -.264E-19 -.289E-19 0.144E+00   -.524E-13 -.259E-12 -.487E+01
+   0.158E-12 -.447E-12 0.226E+02   0.160E-14 0.111E-14 -.272E+02   0.264E-19 0.289E-19 -.144E+00   -.664E-13 0.521E-12 0.487E+01
+   0.749E-13 -.427E-12 0.683E+02   -.186E-14 -.191E-14 -.690E+02   0.204E-19 0.294E-18 -.110E+01   0.387E-14 -.429E-12 0.143E+01
+   0.704E-13 -.547E-12 -.683E+02   -.530E-15 0.215E-14 0.690E+02   0.339E-19 -.294E-18 0.110E+01   -.565E-13 -.545E-13 -.143E+01
+   0.742E-13 0.600E-15 -.129E-12   0.212E-14 -.840E-16 -.355E-13   -.304E-29 -.348E-29 0.000E+00   -.269E-13 0.346E-12 -.572E-13
+   0.665E-15 0.777E-13 0.234E-12   -.522E-15 0.186E-14 -.355E-13   0.414E-29 0.473E-29 0.000E+00   -.178E-13 -.131E-12 -.641E-13
+ -----------------------------------------------------------------------------------------------
+   0.547E-12 -.160E-11 0.148E-11   0.607E-15 0.297E-14 -.142E-13   0.542E-19 0.650E-29 0.000E+00   -.219E-12 -.950E-13 0.149E-12
+ 
+ 
+ POSITION                                       TOTAL-FORCE (eV/Angst)
+ -----------------------------------------------------------------------------------
+      0.00000      0.00000      0.00000         0.000000      0.000000      0.000000
+      2.13164      2.13164     11.33498         0.000000      0.000000     -0.134468
+      2.13164      2.13164      1.79505         0.000000      0.000000      0.134468
+      2.13164      2.13164      4.50413         0.000000      0.000000     -0.381928
+      2.13164      2.13164      8.62590         0.000000      0.000000      0.381928
+      2.13164      0.00000      6.56502         0.000000      0.000000      0.000000
+      0.00000      2.13164      6.56502         0.000000      0.000000      0.000000
+ -----------------------------------------------------------------------------------
+    total drift:                                0.000000      0.000000      0.000000
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
+  ---------------------------------------------------
+  free  energy   TOTEN  =       -17.595527 eV
+
+  energy  without entropy=      -17.595527  energy(sigma->0) =      -17.595527
+ 
+ d Force = 0.5561549E-03[ 0.165E-02,-0.537E-03]  d Energy = 0.1013248E+00-0.101E+00
+ d Force =-0.7664206E+00[-0.779E+00,-0.754E+00]  d Ewald  =-0.1300855E+02 0.122E+02
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+    POTLOK:  cpu time    0.62: real time    0.62
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+    WAVPRE:  cpu time    0.01: real time    0.02
+    FEWALD:  cpu time    0.00: real time    0.00
+    GENKIN:  cpu time    0.00: real time    0.00
+    ORTHCH:  cpu time    0.09: real time    0.09
+     LOOP+:  cpu time   24.90: real time   25.97
+
+
+----------------------------------------- Iteration    8(   1)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.60: real time    2.61
+ BZINTS: Fermi energy: -4.985455; 36.000000 electrons
+         Band energy:-379.700528;  BLOECHL correction: -0.013008
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.33: real time    3.38
+
+ eigenvalue-minimisations  :  1052
+ total energy-change (2. order) :-0.3466787E+00  (-0.7843464E+00)
+ number of electron      35.9999977 magnetization      17.5711490
+ augmentation part        1.5838398 magnetization       2.0468906
+
+ Broyden mixing:
+  rms(total) = 0.52116E+00    rms(broyden)= 0.52010E+00
+  rms(prec ) = 0.57545E+00
+  weight for this iteration     100.00
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        22.17762311
+  Ewald energy   TEWEN  =     -1060.09115105
+  -1/2 Hartree   DENC   =      -801.57101936
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       141.67057694
+  PAW double counting   =      1016.74712515    -1026.73032104
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -379.70052762
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.94406826 eV
+
+  energy without entropy =      -17.94406826  energy(sigma->0) =      -17.94406826
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    8(   2)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.62: real time    2.62
+ BZINTS: Fermi energy: -4.548843; 36.000000 electrons
+         Band energy:-368.142170;  BLOECHL correction: -0.026033
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.35: real time    3.41
+
+ eigenvalue-minimisations  :  1058
+ total energy-change (2. order) : 0.3411119E+00  (-0.1914505E+00)
+ number of electron      35.9999982 magnetization      17.5865460
+ augmentation part        1.5906423 magnetization       2.3446582
+
+ Broyden mixing:
+  rms(total) = 0.41451E+00    rms(broyden)= 0.41378E+00
+  rms(prec ) = 0.44776E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.6111
+  0.6111
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        22.17762311
+  Ewald energy   TEWEN  =     -1060.09115105
+  -1/2 Hartree   DENC   =      -814.56809616
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.36080324
+  PAW double counting   =      1021.93127589    -1031.82486719
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -368.14216975
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.60295632 eV
+
+  energy without entropy =      -17.60295632  energy(sigma->0) =      -17.60295632
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    8(   3)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.56: real time    2.56
+ BZINTS: Fermi energy: -4.446639; 36.000000 electrons
+         Band energy:-362.511816;  BLOECHL correction: -0.015638
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.29: real time    3.38
+
+ eigenvalue-minimisations  :  1036
+ total energy-change (2. order) :-0.2200769E-01  (-0.3122862E-01)
+ number of electron      35.9999990 magnetization      17.6163158
+ augmentation part        1.6423172 magnetization       3.7983819
+
+ Broyden mixing:
+  rms(total) = 0.73621E+00    rms(broyden)= 0.73516E+00
+  rms(prec ) = 0.87185E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.3601
+  0.6591  0.0611
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        22.17762311
+  Ewald energy   TEWEN  =     -1060.09115105
+  -1/2 Hartree   DENC   =      -820.14894697
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.41580404
+  PAW double counting   =      1022.88524013    -1032.90534257
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -362.51181630
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.62496402 eV
+
+  energy without entropy =      -17.62496402  energy(sigma->0) =      -17.62496402
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    8(   4)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.17
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.47: real time    2.47
+ BZINTS: Fermi energy: -4.474145; 36.000000 electrons
+         Band energy:-362.899401;  BLOECHL correction: -0.014797
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.20: real time    3.28
+
+ eigenvalue-minimisations  :   986
+ total energy-change (2. order) :-0.5396428E-01  (-0.2233325E-02)
+ number of electron      35.9999990 magnetization      16.9811683
+ augmentation part        1.6485575 magnetization       3.1643688
+
+ Broyden mixing:
+  rms(total) = 0.76877E+00    rms(broyden)= 0.76873E+00
+  rms(prec ) = 0.91334E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.7567
+  0.6790  0.7956  0.7956
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        22.17762311
+  Ewald energy   TEWEN  =     -1060.09115105
+  -1/2 Hartree   DENC   =      -819.87725766
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.46943029
+  PAW double counting   =      1022.24697933    -1032.25877686
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -362.89940106
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.67892830 eV
+
+  energy without entropy =      -17.67892830  energy(sigma->0) =      -17.67892830
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    8(   5)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.17
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.62: real time    2.62
+ BZINTS: Fermi energy: -4.659757; 36.000000 electrons
+         Band energy:-359.997730;  BLOECHL correction:  0.000000
+       DOS:  cpu time    0.00: real time    0.00
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.34: real time    3.42
+
+ eigenvalue-minimisations  :  1068
+ total energy-change (2. order) :-0.6758390E+00  (-0.1064382E+01)
+ number of electron      35.9999975 magnetization      17.1924456
+ augmentation part        1.3574503 magnetization      -0.1150061
+
+ Broyden mixing:
+  rms(total) = 0.13925E+01    rms(broyden)= 0.13902E+01
+  rms(prec ) = 0.16694E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.5627
+  0.6618  0.6618  0.4636  0.4636
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        22.17762311
+  Ewald energy   TEWEN  =     -1060.09115105
+  -1/2 Hartree   DENC   =      -822.86837195
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       142.92895258
+  PAW double counting   =      1024.35611074    -1034.41382626
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -359.99773002
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -18.35476726 eV
+
+  energy without entropy =      -18.35476726  energy(sigma->0) =      -18.35476726
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    8(   6)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.17
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.68: real time    2.69
+ BZINTS: Fermi energy: -4.734345; 36.000000 electrons
+         Band energy:-360.004029;  BLOECHL correction: -0.000165
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.41: real time    3.51
+
+ eigenvalue-minimisations  :  1056
+ total energy-change (2. order) : 0.6376349E+00  (-0.1884187E-01)
+ number of electron      35.9999976 magnetization      17.8180574
+ augmentation part        1.3781953 magnetization       0.5019928
+
+ Broyden mixing:
+  rms(total) = 0.11802E+01    rms(broyden)= 0.11801E+01
+  rms(prec ) = 0.14299E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.7077
+  0.5226  0.5226  0.9604  0.9604  0.5729
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        22.17762311
+  Ewald energy   TEWEN  =     -1060.09115105
+  -1/2 Hartree   DENC   =      -822.33343025
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.04736066
+  PAW double counting   =      1020.31738026    -1030.38451204
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -360.00402861
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.71713232 eV
+
+  energy without entropy =      -17.71713232  energy(sigma->0) =      -17.71713232
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    8(   7)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.67: real time    2.67
+ BZINTS: Fermi energy: -4.701510; 36.000000 electrons
+         Band energy:-363.570898;  BLOECHL correction: -0.017348
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.40: real time    3.50
+
+ eigenvalue-minimisations  :  1086
+ total energy-change (2. order) :-0.1178081E+01  (-0.9247950E-01)
+ number of electron      36.0000005 magnetization      17.8103156
+ augmentation part        1.8865314 magnetization       8.8817571
+
+ Broyden mixing:
+  rms(total) = 0.27204E+01    rms(broyden)= 0.27181E+01
+  rms(prec ) = 0.33013E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.5950
+  0.9687  0.9687  0.5183  0.5183  0.5814  0.0144
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        22.17762311
+  Ewald energy   TEWEN  =     -1060.09115105
+  -1/2 Hartree   DENC   =      -820.63591639
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.65791623
+  PAW double counting   =      1012.21360639    -1022.20001916
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -363.57089762
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -18.89521289 eV
+
+  energy without entropy =      -18.89521289  energy(sigma->0) =      -18.89521289
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    8(   8)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.63: real time    2.63
+ BZINTS: Fermi energy: -4.713342; 36.000000 electrons
+         Band energy:-363.549245;  BLOECHL correction: -0.020569
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.37: real time    3.44
+
+ eigenvalue-minimisations  :  1072
+ total energy-change (2. order) : 0.2658392E+00  (-0.1158584E-01)
+ number of electron      36.0000002 magnetization      17.6161215
+ augmentation part        1.8637282 magnetization       7.8970846
+
+ Broyden mixing:
+  rms(total) = 0.24128E+01    rms(broyden)= 0.24127E+01
+  rms(prec ) = 0.29140E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.5211
+  0.8761  0.8761  0.7072  0.5012  0.5012  0.0930  0.0930
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        22.17762311
+  Ewald energy   TEWEN  =     -1060.09115105
+  -1/2 Hartree   DENC   =      -820.44760929
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.72432905
+  PAW double counting   =      1012.44795304    -1022.44489879
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -363.54924532
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -18.62937364 eV
+
+  energy without entropy =      -18.62937364  energy(sigma->0) =      -18.62937364
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    8(   9)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.64: real time    2.64
+ BZINTS: Fermi energy: -4.662440; 36.000000 electrons
+         Band energy:-361.247715;  BLOECHL correction: -0.014975
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.38: real time    3.44
+
+ eigenvalue-minimisations  :  1076
+ total energy-change (2. order) : 0.1126539E+01  (-0.8123132E-02)
+ number of electron      35.9999992 magnetization      17.5174843
+ augmentation part        1.6737750 magnetization       4.7203896
+
+ Broyden mixing:
+  rms(total) = 0.10551E+01    rms(broyden)= 0.10518E+01
+  rms(prec ) = 0.12470E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.5493
+  0.9336  0.9336  0.4497  0.4497  0.7080  0.7080  0.1058  0.1058
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        22.17762311
+  Ewald energy   TEWEN  =     -1060.09115105
+  -1/2 Hartree   DENC   =      -821.39664460
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.52225827
+  PAW double counting   =      1014.22578185    -1024.24661338
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -361.24771454
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.50283475 eV
+
+  energy without entropy =      -17.50283475  energy(sigma->0) =      -17.50283475
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    8(  10)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.53: real time    2.53
+ BZINTS: Fermi energy: -4.643073; 36.000000 electrons
+         Band energy:-360.868156;  BLOECHL correction: -0.010984
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.27: real time    3.36
+
+ eigenvalue-minimisations  :  1020
+ total energy-change (2. order) :-0.5372394E-01  (-0.7984996E-02)
+ number of electron      35.9999990 magnetization      17.4509880
+ augmentation part        1.6172824 magnetization       3.6070439
+
+ Broyden mixing:
+  rms(total) = 0.65446E+00    rms(broyden)= 0.65301E+00
+  rms(prec ) = 0.76000E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.5860
+  1.1934  0.8957  0.8957  0.8505  0.4301  0.4301  0.3690  0.1048  0.1048
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        22.17762311
+  Ewald energy   TEWEN  =     -1060.09115105
+  -1/2 Hartree   DENC   =      -821.62493239
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.31162823
+  PAW double counting   =      1011.38458534    -1021.39978134
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -360.86815618
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.55655869 eV
+
+  energy without entropy =      -17.55655869  energy(sigma->0) =      -17.55655869
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    8(  11)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.45: real time    2.46
+ BZINTS: Fermi energy: -4.592945; 36.000000 electrons
+         Band energy:-360.250152;  BLOECHL correction: -0.011465
+       DOS:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.09: real time    3.17
+
+ eigenvalue-minimisations  :   976
+ total energy-change (2. order) :-0.2343529E-02  (-0.4176891E-02)
+ number of electron      35.9999990 magnetization      17.4509880
+ augmentation part        1.6172824 magnetization       3.6070439
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        22.17762311
+  Ewald energy   TEWEN  =     -1060.09115105
+  -1/2 Hartree   DENC   =      -822.22338143
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.27025159
+  PAW double counting   =      1008.55908311    -1018.55480087
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -360.25015228
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.55890222 eV
+
+  energy without entropy =      -17.55890222  energy(sigma->0) =      -17.55890222
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+ average (electrostatic) potential at core
+  the test charge radii are     0.6991  0.7215  0.7089
+  (the norm of the test charge is              1.0000)
+       1 -60.4136       2 -80.4432       3 -80.4432       4 -72.2692       5 -72.2692
+       6 -72.4301       7 -72.4301
+ 
+ 
+ 
+ E-fermi :  -4.5929     XC(G=0):  -5.3027     alpha+bet : -2.4104
+
+
+ spin component 1
+
+ k-point   1 :       0.0000    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -22.6927      1.00000
+      2     -22.6742      1.00000
+      3     -17.9039      1.00000
+      4     -17.1292      1.00000
+      5     -16.9291      1.00000
+      6     -16.8879      1.00000
+      7     -13.2840      1.00000
+      8      -8.0891      1.00000
+      9      -8.0891      1.00000
+     10      -8.0534      1.00000
+     11      -8.0534      1.00000
+     12      -7.1290      1.00000
+     13      -7.0207      1.00000
+     14      -6.5087      1.00000
+     15      -6.5087      1.00000
+     16      -6.2298      1.00000
+     17      -5.4549      1.00000
+     18      -5.4549      1.00000
+     19      -5.4302      1.00000
+     20      -5.2910      1.00000
+     21      -5.2910      1.00000
+     22      -5.2771      1.00000
+     23      -4.8722      1.00000
+     24      -4.7696      1.00000
+     25      -4.7696      1.00000
+     26      -4.7136      1.00000
+     27      -4.3322      0.00000
+     28      -4.3322      0.00000
+     29       1.4375      0.00000
+     30       2.1949      0.00000
+     31       3.1586      0.00000
+     32       5.1120      0.00000
+     33       5.1457      0.00000
+     34       5.8212      0.00000
+     35       7.3387      0.00000
+     36       7.5141      0.00000
+     37       7.7932      0.00000
+     38       8.0832      0.00000
+     39       8.9278      0.00000
+     40       8.9278      0.00000
+     41       9.1773      0.00000
+     42       9.2156      0.00000
+
+ k-point   2 :       0.3333    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -22.6873      1.00000
+      2     -22.6694      1.00000
+      3     -17.6852      1.00000
+      4     -17.1582      1.00000
+      5     -17.1110      1.00000
+      6     -16.8832      1.00000
+      7     -13.2463      1.00000
+      8      -8.1553      1.00000
+      9      -8.1477      1.00000
+     10      -8.0718      1.00000
+     11      -8.0452      1.00000
+     12      -7.1830      1.00000
+     13      -6.9774      1.00000
+     14      -6.3555      1.00000
+     15      -6.3300      1.00000
+     16      -6.2354      1.00000
+     17      -5.8805      1.00000
+     18      -5.6701      1.00000
+     19      -5.4750      1.00000
+     20      -5.4377      1.00000
+     21      -5.4205      1.00000
+     22      -5.0082      1.00000
+     23      -4.9099      1.00000
+     24      -4.7978      1.00000
+     25      -4.7974      1.00000
+     26      -4.7016      1.00000
+     27      -4.5783      0.00000
+     28      -4.3243      0.00000
+     29       2.4608      0.00000
+     30       2.9666      0.00000
+     31       4.1128      0.00000
+     32       4.8315      0.00000
+     33       5.0814      0.00000
+     34       5.8208      0.00000
+     35       5.8934      0.00000
+     36       6.3787      0.00000
+     37       7.6240      0.00000
+     38       8.1349      0.00000
+     39       8.1889      0.00000
+     40       8.9416      0.00000
+     41       9.1037      0.00000
+     42       9.1493      0.00000
+
+ k-point   3 :       0.3333    0.3333    0.0000
+  band No.  band energies     occupation 
+      1     -22.6824      1.00000
+      2     -22.6651      1.00000
+      3     -17.5110      1.00000
+      4     -17.2028      1.00000
+      5     -17.0935      1.00000
+      6     -16.9887      1.00000
+      7     -13.1994      1.00000
+      8      -8.1806      1.00000
+      9      -8.1569      1.00000
+     10      -8.1364      1.00000
+     11      -8.1242      1.00000
+     12      -7.2593      1.00000
+     13      -6.9447      1.00000
+     14      -6.7379      1.00000
+     15      -6.3805      1.00000
+     16      -6.3421      1.00000
+     17      -6.2329      1.00000
+     18      -5.7011      1.00000
+     19      -5.5295      1.00000
+     20      -5.2802      1.00000
+     21      -5.0160      1.00000
+     22      -4.9063      1.00000
+     23      -4.7926      1.00000
+     24      -4.7719      1.00000
+     25      -4.7532      1.00000
+     26      -4.6938      1.00000
+     27      -4.5880      0.00000
+     28      -4.5731      0.00000
+     29       3.2884      0.00000
+     30       3.6372      0.00000
+     31       4.8099      0.00000
+     32       5.3631      0.00000
+     33       5.5325      0.00000
+     34       5.5821      0.00000
+     35       5.9469      0.00000
+     36       6.5463      0.00000
+     37       6.8393      0.00000
+     38       6.9352      0.00000
+     39       7.0662      0.00000
+     40       7.8203      0.00000
+     41       8.2518      0.00000
+     42       9.3268      0.00000
+
+ k-point   4 :       0.0000    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -22.6926      1.00000
+      2     -22.6741      1.00000
+      3     -17.9039      1.00000
+      4     -17.1293      1.00000
+      5     -16.9291      1.00000
+      6     -16.8878      1.00000
+      7     -13.2840      1.00000
+      8      -8.0889      1.00000
+      9      -8.0889      1.00000
+     10      -8.0534      1.00000
+     11      -8.0534      1.00000
+     12      -7.1585      1.00000
+     13      -6.9784      1.00000
+     14      -6.5088      1.00000
+     15      -6.5088      1.00000
+     16      -6.2527      1.00000
+     17      -5.4550      1.00000
+     18      -5.4550      1.00000
+     19      -5.4301      1.00000
+     20      -5.2909      1.00000
+     21      -5.2909      1.00000
+     22      -5.2624      1.00000
+     23      -4.8366      1.00000
+     24      -4.7693      1.00000
+     25      -4.7693      1.00000
+     26      -4.7536      1.00000
+     27      -4.3322      0.00000
+     28      -4.3322      0.00000
+     29       1.5103      0.00000
+     30       2.0068      0.00000
+     31       3.4882      0.00000
+     32       4.3573      0.00000
+     33       5.8278      0.00000
+     34       5.9047      0.00000
+     35       7.0485      0.00000
+     36       7.3778      0.00000
+     37       7.7138      0.00000
+     38       8.3767      0.00000
+     39       8.9487      0.00000
+     40       8.9487      0.00000
+     41       9.1476      0.00000
+     42       9.5637      0.00000
+
+ k-point   5 :       0.3333    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -22.6873      1.00000
+      2     -22.6696      1.00000
+      3     -17.6852      1.00000
+      4     -17.1582      1.00000
+      5     -17.1111      1.00000
+      6     -16.8831      1.00000
+      7     -13.2463      1.00000
+      8      -8.1553      1.00000
+      9      -8.1479      1.00000
+     10      -8.0718      1.00000
+     11      -8.0454      1.00000
+     12      -7.1744      1.00000
+     13      -6.9921      1.00000
+     14      -6.3644      1.00000
+     15      -6.3085      1.00000
+     16      -6.2355      1.00000
+     17      -5.8980      1.00000
+     18      -5.6538      1.00000
+     19      -5.4750      1.00000
+     20      -5.4379      1.00000
+     21      -5.4206      1.00000
+     22      -5.0230      1.00000
+     23      -4.9100      1.00000
+     24      -4.8277      1.00000
+     25      -4.7608      1.00000
+     26      -4.6920      1.00000
+     27      -4.5867      0.00000
+     28      -4.3244      0.00000
+     29       2.5063      0.00000
+     30       2.8682      0.00000
+     31       4.3034      0.00000
+     32       4.8619      0.00000
+     33       4.9574      0.00000
+     34       5.3422      0.00000
+     35       6.4669      0.00000
+     36       6.5311      0.00000
+     37       7.2058      0.00000
+     38       7.9389      0.00000
+     39       8.4970      0.00000
+     40       8.9657      0.00000
+     41       9.0044      0.00000
+     42       9.0944      0.00000
+
+ k-point   6 :       0.3333    0.3333    0.3333
+  band No.  band energies     occupation 
+      1     -22.6823      1.00000
+      2     -22.6649      1.00000
+      3     -17.5109      1.00000
+      4     -17.2028      1.00000
+      5     -17.0936      1.00000
+      6     -16.9886      1.00000
+      7     -13.1994      1.00000
+      8      -8.1807      1.00000
+      9      -8.1570      1.00000
+     10      -8.1361      1.00000
+     11      -8.1239      1.00000
+     12      -7.2060      1.00000
+     13      -7.0639      1.00000
+     14      -6.6659      1.00000
+     15      -6.3712      1.00000
+     16      -6.3467      1.00000
+     17      -6.2330      1.00000
+     18      -5.7008      1.00000
+     19      -5.5271      1.00000
+     20      -5.3042      1.00000
+     21      -5.0158      1.00000
+     22      -4.9065      1.00000
+     23      -4.8092      1.00000
+     24      -4.7530      1.00000
+     25      -4.7388      1.00000
+     26      -4.6890      1.00000
+     27      -4.5878      0.00000
+     28      -4.5821      0.00000
+     29       3.3073      0.00000
+     30       3.6004      0.00000
+     31       4.8638      0.00000
+     32       5.3791      0.00000
+     33       5.4980      0.00000
+     34       5.5052      0.00000
+     35       6.1409      0.00000
+     36       6.5192      0.00000
+     37       6.6219      0.00000
+     38       6.9386      0.00000
+     39       7.2317      0.00000
+     40       7.7159      0.00000
+     41       7.7878      0.00000
+     42       8.4273      0.00000
+
+ spin component 2
+
+ k-point   1 :       0.0000    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -19.4422      1.00000
+      2     -19.4126      1.00000
+      3     -13.5741      1.00000
+      4     -12.6327      1.00000
+      5     -12.2703      1.00000
+      6     -12.2091      1.00000
+      7     -10.7843      1.00000
+      8      -5.2882      1.00000
+      9      -5.0478      1.00000
+     10      -4.4526     -0.30469
+     11      -4.4526     -0.07329
+     12      -4.3580      0.00000
+     13      -4.3580      0.00000
+     14      -2.6083      0.00000
+     15      -2.6083      0.00000
+     16      -2.3530      0.00000
+     17      -2.1627      0.00000
+     18      -2.1627      0.00000
+     19      -2.0405      0.00000
+     20      -1.3608      0.00000
+     21      -1.1817      0.00000
+     22      -1.1817      0.00000
+     23      -0.9350      0.00000
+     24      -0.8845      0.00000
+     25      -0.8845      0.00000
+     26      -0.5826      0.00000
+     27      -0.2542      0.00000
+     28      -0.2542      0.00000
+     29       2.3623      0.00000
+     30       3.3671      0.00000
+     31       4.1895      0.00000
+     32       6.1077      0.00000
+     33       6.4121      0.00000
+     34       6.4839      0.00000
+     35       8.1562      0.00000
+     36       8.6180      0.00000
+     37       9.0281      0.00000
+     38       9.1374      0.00000
+     39      10.0139      0.00000
+     40      10.0139      0.00000
+     41      10.3945      0.00000
+     42      11.8152      0.00000
+
+ k-point   2 :       0.3333    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -19.4336      1.00000
+      2     -19.4054      1.00000
+      3     -13.2867      1.00000
+      4     -12.5988      1.00000
+      5     -12.5477      1.00000
+      6     -12.2357      1.00000
+      7     -10.7304      1.00000
+      8      -5.3452      1.00000
+      9      -5.0237      1.00000
+     10      -4.5936      0.77982
+     11      -4.5624     -0.05484
+     12      -4.4006      0.00000
+     13      -4.3408      0.00000
+     14      -2.6728      0.00000
+     15      -2.4766      0.00000
+     16      -2.4681      0.00000
+     17      -2.2505      0.00000
+     18      -2.1814      0.00000
+     19      -1.8498      0.00000
+     20      -1.7779      0.00000
+     21      -1.6598      0.00000
+     22      -1.1653      0.00000
+     23      -1.1525      0.00000
+     24      -1.1424      0.00000
+     25      -0.6444      0.00000
+     26      -0.4517      0.00000
+     27      -0.4315      0.00000
+     28      -0.2876      0.00000
+     29       3.5413      0.00000
+     30       4.0870      0.00000
+     31       5.2391      0.00000
+     32       5.8435      0.00000
+     33       6.0110      0.00000
+     34       6.9086      0.00000
+     35       7.2062      0.00000
+     36       7.4399      0.00000
+     37       8.8214      0.00000
+     38       9.1977      0.00000
+     39       9.8377      0.00000
+     40       9.9202      0.00000
+     41       9.9739      0.00000
+     42      10.2193      0.00000
+
+ k-point   3 :       0.3333    0.3333    0.0000
+  band No.  band energies     occupation 
+      1     -19.4260      1.00000
+      2     -19.3986      1.00000
+      3     -13.0468      1.00000
+      4     -12.5874      1.00000
+      5     -12.5669      1.00000
+      6     -12.3945      1.00000
+      7     -10.6643      1.00000
+      8      -5.3166      1.00000
+      9      -5.0047      1.00000
+     10      -4.6800      0.99124
+     11      -4.6046      0.62975
+     12      -4.5426      0.00000
+     13      -4.5031      0.00000
+     14      -3.2026      0.00000
+     15      -2.5656      0.00000
+     16      -2.5042      0.00000
+     17      -2.4421      0.00000
+     18      -2.4105      0.00000
+     19      -2.2257      0.00000
+     20      -1.8034      0.00000
+     21      -1.5776      0.00000
+     22      -1.3741      0.00000
+     23      -1.2423      0.00000
+     24      -0.5598      0.00000
+     25      -0.4702      0.00000
+     26      -0.3001      0.00000
+     27      -0.2444      0.00000
+     28      -0.1982      0.00000
+     29       4.3569      0.00000
+     30       4.7177      0.00000
+     31       5.7901      0.00000
+     32       6.4360      0.00000
+     33       6.4766      0.00000
+     34       6.5648      0.00000
+     35       7.0584      0.00000
+     36       7.5208      0.00000
+     37       7.9442      0.00000
+     38       7.9766      0.00000
+     39       8.1512      0.00000
+     40       8.7838      0.00000
+     41       9.3059      0.00000
+     42       9.8179      0.00000
+
+ k-point   4 :       0.0000    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -19.4421      1.00000
+      2     -19.4125      1.00000
+      3     -13.5740      1.00000
+      4     -12.6330      1.00000
+      5     -12.2700      1.00000
+      6     -12.2091      1.00000
+      7     -10.7843      1.00000
+      8      -5.2929      1.00000
+      9      -5.0419      1.00000
+     10      -4.4524     -0.30596
+     11      -4.4524     -0.07457
+     12      -4.3582      0.00000
+     13      -4.3582      0.00000
+     14      -2.6079      0.00000
+     15      -2.6079      0.00000
+     16      -2.3540      0.00000
+     17      -2.1632      0.00000
+     18      -2.1632      0.00000
+     19      -2.0586      0.00000
+     20      -1.3143      0.00000
+     21      -1.1815      0.00000
+     22      -1.1815      0.00000
+     23      -0.9350      0.00000
+     24      -0.8845      0.00000
+     25      -0.8845      0.00000
+     26      -0.6192      0.00000
+     27      -0.2541      0.00000
+     28      -0.2541      0.00000
+     29       2.4756      0.00000
+     30       3.1020      0.00000
+     31       4.5390      0.00000
+     32       5.5339      0.00000
+     33       6.4913      0.00000
+     34       6.9557      0.00000
+     35       8.0490      0.00000
+     36       8.3399      0.00000
+     37       9.1502      0.00000
+     38       9.3149      0.00000
+     39      10.0269      0.00000
+     40      10.0269      0.00000
+     41      10.2682      0.00000
+     42      10.2682      0.00000
+
+ k-point   5 :       0.3333    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -19.4337      1.00000
+      2     -19.4056      1.00000
+      3     -13.2866      1.00000
+      4     -12.5992      1.00000
+      5     -12.5477      1.00000
+      6     -12.2356      1.00000
+      7     -10.7304      1.00000
+      8      -5.3441      1.00000
+      9      -5.0256      1.00000
+     10      -4.5931      0.77797
+     11      -4.5632     -0.05188
+     12      -4.4005      0.00000
+     13      -4.3410      0.00000
+     14      -2.6460      0.00000
+     15      -2.5075      0.00000
+     16      -2.4667      0.00000
+     17      -2.2499      0.00000
+     18      -2.1821      0.00000
+     19      -1.8326      0.00000
+     20      -1.7964      0.00000
+     21      -1.6550      0.00000
+     22      -1.1649      0.00000
+     23      -1.1524      0.00000
+     24      -1.1426      0.00000
+     25      -0.6504      0.00000
+     26      -0.4516      0.00000
+     27      -0.4248      0.00000
+     28      -0.2893      0.00000
+     29       3.5811      0.00000
+     30       4.0015      0.00000
+     31       5.3548      0.00000
+     32       5.8994      0.00000
+     33       5.9529      0.00000
+     34       6.5717      0.00000
+     35       7.5510      0.00000
+     36       7.5700      0.00000
+     37       8.4199      0.00000
+     38       9.4110      0.00000
+     39       9.7417      0.00000
+     40       9.8735      0.00000
+     41       9.9196      0.00000
+     42      10.1853      0.00000
+
+ k-point   6 :       0.3333    0.3333    0.3333
+  band No.  band energies     occupation 
+      1     -19.4259      1.00000
+      2     -19.3985      1.00000
+      3     -13.0466      1.00000
+      4     -12.5873      1.00000
+      5     -12.5671      1.00000
+      6     -12.3942      1.00000
+      7     -10.6643      1.00000
+      8      -5.3069      1.00000
+      9      -5.0186      1.00000
+     10      -4.6804      0.99147
+     11      -4.6043      0.62685
+     12      -4.5421      0.00000
+     13      -4.5025      0.00000
+     14      -3.1911      0.00000
+     15      -2.5569      0.00000
+     16      -2.5271      0.00000
+     17      -2.4453      0.00000
+     18      -2.4000      0.00000
+     19      -2.2218      0.00000
+     20      -1.8026      0.00000
+     21      -1.5783      0.00000
+     22      -1.3738      0.00000
+     23      -1.2556      0.00000
+     24      -0.5598      0.00000
+     25      -0.4592      0.00000
+     26      -0.3002      0.00000
+     27      -0.2460      0.00000
+     28      -0.1981      0.00000
+     29       4.3459      0.00000
+     30       4.7297      0.00000
+     31       5.7542      0.00000
+     32       6.4845      0.00000
+     33       6.5511      0.00000
+     34       6.5529      0.00000
+     35       7.0952      0.00000
+     36       7.4518      0.00000
+     37       7.8074      0.00000
+     38       7.9933      0.00000
+     39       8.1010      0.00000
+     40       8.8919      0.00000
+     41       9.1006      0.00000
+     42      10.0497      0.00000
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+ soft charge-density along one line, spin component           1
+         0         1         2         3         4         5         6         7         8         9
+ total charge-density along one line
+ 
+ soft charge-density along one line, spin component           2
+         0         1         2         3         4         5         6         7         8         9
+ total charge-density along one line
+ 
+ pseudopotential strength for first ion, spin component:           1
+ 10.498   0.029   0.000   0.000   0.000   0.000   0.000   0.000
+  0.029  -0.001   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000  -4.523   0.000   0.000  -0.027   0.000   0.000
+  0.000   0.000   0.000  -4.547   0.000   0.000  -0.031   0.000
+  0.000   0.000   0.000   0.000  -4.523   0.000   0.000  -0.027
+  0.000   0.000  -0.027   0.000   0.000  -0.774   0.000   0.000
+  0.000   0.000   0.000  -0.031   0.000   0.000  -0.775   0.000
+  0.000   0.000   0.000   0.000  -0.027   0.000   0.000  -0.774
+ pseudopotential strength for first ion, spin component:           2
+ 10.030   0.006   0.000   0.000   0.000   0.000   0.000   0.000
+  0.006  -0.001   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000  -4.474   0.000   0.000   0.061   0.000   0.000
+  0.000   0.000   0.000  -4.502   0.000   0.000   0.079   0.000
+  0.000   0.000   0.000   0.000  -4.474   0.000   0.000   0.061
+  0.000   0.000   0.061   0.000   0.000  -0.766   0.000   0.000
+  0.000   0.000   0.000   0.079   0.000   0.000  -0.767   0.000
+  0.000   0.000   0.000   0.000   0.061   0.000   0.000  -0.766
+ total augmentation occupancy for first ion, spin component:           1
+  2.019   0.080   0.000   0.000   0.000   0.000   0.000   0.000
+  0.080   0.010   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.146   0.000   0.000   0.001   0.000   0.000
+  0.000   0.000   0.000   1.090   0.000   0.000  -0.010   0.000
+  0.000   0.000   0.000   0.000   0.146   0.000   0.000   0.001
+  0.000   0.000   0.001   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000  -0.010   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000   0.000   0.001   0.000   0.000   0.000
+ total augmentation occupancy for first ion, spin component:           2
+  0.055  -0.075   0.000   0.000   0.000   0.000   0.000   0.000
+ -0.075  -0.005   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.117   0.000   0.000  -0.001   0.000   0.000
+  0.000   0.000   0.000   1.076   0.000   0.000  -0.011   0.000
+  0.000   0.000   0.000   0.000   0.117   0.000   0.000  -0.001
+  0.000   0.000  -0.001   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000   0.000  -0.001   0.000   0.000   0.000
+
+
+------------------------ aborting loop because EDIFF is reached ----------------------------------------
+
+
+ 
+
+
+ total charge     
+ 
+# of ion     s       p       d       tot
+----------------------------------------
+  1        1.065   0.588   0.000   1.653
+  2        1.629   3.172   0.000   4.801
+  3        1.629   3.172   0.000   4.801
+  4        1.367   1.894   0.000   3.261
+  5        1.367   1.894   0.000   3.261
+  6        1.367   1.916   0.000   3.283
+  7        1.366   1.911   0.000   3.277
+------------------------------------------------
+tot        9.789  14.548   0.000  24.337
+ 
+
+
+ magnetization (x)
+ 
+# of ion     s       p       d       tot
+----------------------------------------
+  1        0.035   0.549   0.000   0.583
+  2        0.017   1.232   0.000   1.250
+  3        0.017   1.232   0.000   1.250
+  4        0.044   1.861   0.000   1.906
+  5        0.044   1.861   0.000   1.906
+  6        0.047   1.912   0.000   1.960
+  7        0.049   1.907   0.000   1.956
+------------------------------------------------
+tot        0.254  10.555   0.000  10.809
+ 
+    CHARGE:  cpu time    0.10: real time    0.10
+    FORLOC:  cpu time    0.01: real time    0.01
+    FORNL :  cpu time    0.40: real time    0.40
+    STRESS:  cpu time    0.54: real time    0.54
+    FORHAR:  cpu time    0.03: real time    0.03
+    MIXING:  cpu time    0.01: real time    0.01
+
+  FORCE on cell =-STRESS in cart. coord.  units (eV):
+  Direction    XX          YY          ZZ          XY          YZ          ZX
+  --------------------------------------------------------------------------------------
+  Alpha Z    22.17762    22.17762    22.17762
+  Ewald    -352.25216  -352.25216  -355.58771     0.00000     0.00000     0.00000
+  Hartree   281.97686   281.97686   291.22883     0.00000     0.00000     0.00000
+  E(xc)    -153.30405  -153.30405  -152.67563     0.00000     0.00000     0.00000
+  Local    -395.73859  -395.73859  -455.54659     0.00000     0.00000     0.00000
+  n-local   -59.29660   -57.32920   -73.50447     0.32942     0.05800     0.17489
+  augment    14.43264    14.43264    19.44202     0.00000     0.00000     0.00000
+  Kinetic   654.04186   647.15084   709.06583    -1.32219    -0.21648    -0.66641
+  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+  -------------------------------------------------------------------------------------
+  Total       9.57578     9.57578     4.59990     0.00000     0.00000     0.00000
+  in kB      61.86202    61.86202    29.71654     0.00000     0.00000     0.00000
+  external pressure =       51.15 kB  Pullay stress =        0.00 kB
+
+
+ VOLUME and BASIS-vectors are now :
+ -----------------------------------------------------------------------------
+  energy-cutoff  :      400.00
+  volume of cell :      248.01
+      direct lattice vectors                 reciprocal lattice vectors
+     4.327655451  0.000000000  0.000000000     0.231072000  0.000000000  0.000000000
+     0.000000000  4.327655451  0.000000000     0.000000000  0.231072000  0.000000000
+     0.000000000  0.000000000 13.242047918     0.000000000  0.000000000  0.075517020
+
+  length of vectors
+     4.327655451  4.327655451 13.242047918     0.231072000  0.231072000  0.075517020
+
+
+ FORCES acting on ions
+    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
+ -----------------------------------------------------------------------------------------------
+   -.766E-15 -.856E-15 -.125E-14   -.842E-15 0.226E-15 0.542E-15   -.141E-30 -.161E-30 0.000E+00   0.189E-14 -.144E-13 0.594E-13
+   0.193E-12 -.870E-12 -.350E+02   0.515E-15 0.376E-15 0.289E+02   -.245E-18 -.180E-18 0.930E+00   -.339E-13 0.304E-13 0.534E+01
+   0.188E-12 -.708E-14 0.350E+02   0.925E-15 -.386E-15 -.289E+02   0.327E-18 0.234E-18 -.930E+00   -.101E-12 -.497E-13 -.534E+01
+   0.687E-13 -.604E-12 0.657E+02   -.160E-14 -.144E-14 -.664E+02   0.731E-19 -.868E-19 -.118E+01   -.268E-13 0.369E-14 0.142E+01
+   0.638E-13 -.499E-12 -.657E+02   0.304E-14 0.189E-14 0.664E+02   -.182E-18 0.868E-19 0.118E+01   -.293E-13 -.402E-13 -.142E+01
+   0.745E-13 0.115E-14 -.193E-12   -.373E-14 0.696E-15 -.142E-13   0.320E-26 0.366E-26 0.000E+00   -.276E-13 0.184E-14 0.347E-13
+   0.708E-15 0.795E-13 0.236E-12   0.372E-14 -.975E-15 -.142E-13   -.321E-26 -.367E-26 0.000E+00   -.170E-13 -.220E-13 0.207E-13
+ -----------------------------------------------------------------------------------------------
+   0.588E-12 -.190E-11 0.378E-11   0.203E-14 0.378E-15 -.142E-13   -.271E-19 0.542E-19 0.222E-15   -.233E-12 -.904E-13 0.197E-12
+ 
+ 
+ POSITION                                       TOTAL-FORCE (eV/Angst)
+ -----------------------------------------------------------------------------------
+      0.00000      0.00000      0.00000         0.000000      0.000000      0.000000
+      2.16383      2.16383     11.41972         0.000000      0.000000      0.168406
+      2.16383      2.16383      1.82233         0.000000      0.000000     -0.168406
+      2.16383      2.16383      4.54430         0.000000      0.000000     -0.437151
+      2.16383      2.16383      8.69775         0.000000      0.000000      0.437151
+      2.16383      0.00000      6.62102         0.000000      0.000000      0.000000
+      0.00000      2.16383      6.62102         0.000000      0.000000      0.000000
+ -----------------------------------------------------------------------------------
+    total drift:                                0.000000      0.000000      0.000000
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
+  ---------------------------------------------------
+  free  energy   TOTEN  =       -17.558902 eV
+
+  energy  without entropy=      -17.558902  energy(sigma->0) =      -17.558902
+ 
+ d Force =-0.1832734E-02[-0.555E-02, 0.189E-02]  d Energy =-0.3662445E-01 0.348E-01
+ d Force =-0.9063246E+00[-0.922E+00,-0.891E+00]  d Ewald  =-0.1456210E+02 0.137E+02
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+    POTLOK:  cpu time    0.62: real time    0.62
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+    WAVPRE:  cpu time    0.01: real time    0.02
+    FEWALD:  cpu time    0.00: real time    0.00
+    GENKIN:  cpu time    0.00: real time    0.00
+    ORTHCH:  cpu time    0.09: real time    0.09
+     LOOP+:  cpu time   38.68: real time   40.11
+
+
+----------------------------------------- Iteration    9(   1)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.73: real time    2.73
+ BZINTS: Fermi energy: -4.836826; 36.000000 electrons
+         Band energy:-367.150001;  BLOECHL correction: -0.019960
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.46: real time    3.51
+
+ eigenvalue-minimisations  :  1128
+ total energy-change (2. order) :-0.5563344E-01  (-0.9507317E-01)
+ number of electron      35.9999985 magnetization      17.4826782
+ augmentation part        1.5260110 magnetization       1.9142506
+
+ Broyden mixing:
+  rms(total) = 0.44746E+00    rms(broyden)= 0.44520E+00
+  rms(prec ) = 0.48192E+00
+  weight for this iteration     100.00
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        21.87280423
+  Ewald energy   TEWEN  =     -1054.88196967
+  -1/2 Hartree   DENC   =      -819.53107916
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       142.51970609
+  PAW double counting   =      1008.22080610    -1018.21608450
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -367.15000082
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.61219213 eV
+
+  energy without entropy =      -17.61219213  energy(sigma->0) =      -17.61219213
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    9(   2)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.45
+     EDDAV:  cpu time    2.56: real time    2.56
+ BZINTS: Fermi energy: -4.486554; 36.012477 electrons
+         Band energy:-366.544694;  BLOECHL correction: -0.020512
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.29: real time    3.38
+
+ eigenvalue-minimisations  :  1032
+ total energy-change (2. order) : 0.3417921E-01  (-0.6430956E-01)
+ number of electron      36.0124761 magnetization      17.4617843
+ augmentation part        1.5924000 magnetization       2.4521484
+
+ Broyden mixing:
+  rms(total) = 0.35036E+00    rms(broyden)= 0.35026E+00
+  rms(prec ) = 0.37927E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.5650
+  0.5650
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        21.87280423
+  Ewald energy   TEWEN  =     -1054.88196967
+  -1/2 Hartree   DENC   =      -821.39198721
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.55270635
+  PAW double counting   =      1005.90747023    -1015.64596835
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -366.54469410
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.57801292 eV
+
+  energy without entropy =      -17.57801292  energy(sigma->0) =      -17.57801292
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    9(   3)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.45: real time    0.45
+     EDDAV:  cpu time    2.61: real time    2.61
+ BZINTS: Fermi energy: -4.515191; 36.000000 electrons
+         Band energy:-362.386552;  BLOECHL correction: -0.023811
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.34: real time    3.43
+
+ eigenvalue-minimisations  :  1008
+ total energy-change (2. order) :-0.8326833E-01  (-0.2377725E-01)
+ number of electron      35.9999985 magnetization      17.5916281
+ augmentation part        1.5355774 magnetization       2.0873172
+
+ Broyden mixing:
+  rms(total) = 0.16493E+00    rms(broyden)= 0.16464E+00
+  rms(prec ) = 0.18579E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.7059
+  0.4577  0.9540
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        21.87280423
+  Ewald energy   TEWEN  =     -1054.88196967
+  -1/2 Hartree   DENC   =      -825.30814793
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.41714116
+  PAW double counting   =      1010.84911734    -1020.77729948
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -362.38655249
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.66128125 eV
+
+  energy without entropy =      -17.66128125  energy(sigma->0) =      -17.66128125
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    9(   4)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.67: real time    2.69
+ BZINTS: Fermi energy: -4.488524; 36.000000 electrons
+         Band energy:-361.475485;  BLOECHL correction: -0.013890
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.40: real time    3.58
+
+ eigenvalue-minimisations  :  1100
+ total energy-change (2. order) :-0.1545210E-01  (-0.4899153E-02)
+ number of electron      35.9999989 magnetization      17.5246587
+ augmentation part        1.6332982 magnetization       3.6942585
+
+ Broyden mixing:
+  rms(total) = 0.69469E+00    rms(broyden)= 0.69365E+00
+  rms(prec ) = 0.83030E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.7673
+  1.3187  0.7834  0.1997
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        21.87280423
+  Ewald energy   TEWEN  =     -1054.88196967
+  -1/2 Hartree   DENC   =      -826.36180806
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.55633782
+  PAW double counting   =      1008.83208098    -1018.77231878
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -361.47548547
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.67673335 eV
+
+  energy without entropy =      -17.67673335  energy(sigma->0) =      -17.67673335
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    9(   5)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.48: real time    2.49
+ BZINTS: Fermi energy: -4.598654; 36.000000 electrons
+         Band energy:-359.848821;  BLOECHL correction: -0.017023
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    3.23: real time    3.30
+
+ eigenvalue-minimisations  :   990
+ total energy-change (2. order) : 0.4422569E-02  (-0.2304457E-01)
+ number of electron      35.9999984 magnetization      17.5220626
+ augmentation part        1.5054170 magnetization       1.9154435
+
+ Broyden mixing:
+  rms(total) = 0.24845E+00    rms(broyden)= 0.24592E+00
+  rms(prec ) = 0.30698E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.6682
+  1.2863  0.8473  0.4049  0.1345
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        21.87280423
+  Ewald energy   TEWEN  =     -1054.88196967
+  -1/2 Hartree   DENC   =      -827.91549500
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.49572448
+  PAW double counting   =      1010.08865516    -1020.03683464
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -359.84882094
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.67231078 eV
+
+  energy without entropy =      -17.67231078  energy(sigma->0) =      -17.67231078
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration    9(   6)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.35: real time    2.36
+ BZINTS: Fermi energy: -4.566124; 36.000000 electrons
+         Band energy:-360.188601;  BLOECHL correction: -0.019823
+       DOS:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    2.98: real time    3.06
+
+ eigenvalue-minimisations  :   916
+ total energy-change (2. order) :-0.5261748E-02  (-0.3282967E-02)
+ number of electron      35.9999984 magnetization      17.5220626
+ augmentation part        1.5054170 magnetization       1.9154435
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        21.87280423
+  Ewald energy   TEWEN  =     -1054.88196967
+  -1/2 Hartree   DENC   =      -827.50258698
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.42484503
+  PAW double counting   =      1009.08464859    -1019.04033869
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -360.18860064
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.67757253 eV
+
+  energy without entropy =      -17.67757253  energy(sigma->0) =      -17.67757253
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+ average (electrostatic) potential at core
+  the test charge radii are     0.6991  0.7215  0.7089
+  (the norm of the test charge is              1.0000)
+       1 -60.6128       2 -80.2963       3 -80.2963       4 -72.3424       5 -72.3424
+       6 -72.3678       7 -72.3678
+ 
+ 
+ 
+ E-fermi :  -4.5661     XC(G=0):  -5.2356     alpha+bet : -2.3773
+
+
+ spin component 1
+
+ k-point   1 :       0.0000    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -22.6673      1.00000
+      2     -22.6502      1.00000
+      3     -17.8600      1.00000
+      4     -17.1531      1.00000
+      5     -16.9044      1.00000
+      6     -16.9033      1.00000
+      7     -13.3452      1.00000
+      8      -8.2583      1.00000
+      9      -8.2583      1.00000
+     10      -8.2255      1.00000
+     11      -8.2255      1.00000
+     12      -6.7776      1.00000
+     13      -6.7373      1.00000
+     14      -6.4800      1.00000
+     15      -6.4800      1.00000
+     16      -6.0860      1.00000
+     17      -5.4940      1.00000
+     18      -5.4940      1.00000
+     19      -5.3853      1.00000
+     20      -5.3069      1.00000
+     21      -5.3069      1.00000
+     22      -5.2252      1.00000
+     23      -4.9316      1.00000
+     24      -4.7762      1.00000
+     25      -4.7762      1.00000
+     26      -4.7103      1.00000
+     27      -4.3999     -0.27412
+     28      -4.3999     -0.02972
+     29       1.4452      0.00000
+     30       2.2176      0.00000
+     31       3.1505      0.00000
+     32       5.0696      0.00000
+     33       5.1737      0.00000
+     34       5.8252      0.00000
+     35       7.3163      0.00000
+     36       7.5074      0.00000
+     37       7.7911      0.00000
+     38       8.0575      0.00000
+     39       8.8300      0.00000
+     40       8.8300      0.00000
+     41       9.0686      0.00000
+     42       9.1969      0.00000
+
+ k-point   2 :       0.3333    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -22.6622      1.00000
+      2     -22.6455      1.00000
+      3     -17.6502      1.00000
+      4     -17.1360      1.00000
+      5     -17.1295      1.00000
+      6     -16.8931      1.00000
+      7     -13.3100      1.00000
+      8      -8.3193      1.00000
+      9      -8.3128      1.00000
+     10      -8.2425      1.00000
+     11      -8.2178      1.00000
+     12      -6.8656      1.00000
+     13      -6.6708      1.00000
+     14      -6.3006      1.00000
+     15      -6.2651      1.00000
+     16      -6.2191      1.00000
+     17      -5.8009      1.00000
+     18      -5.6402      1.00000
+     19      -5.4774      1.00000
+     20      -5.4645      1.00000
+     21      -5.4330      1.00000
+     22      -4.9961      1.00000
+     23      -4.9283      1.00000
+     24      -4.8285      1.00000
+     25      -4.8137      1.00000
+     26      -4.7485      1.00000
+     27      -4.5874      0.85203
+     28      -4.3913     -0.08113
+     29       2.4568      0.00000
+     30       2.9809      0.00000
+     31       4.0934      0.00000
+     32       4.8005      0.00000
+     33       5.0632      0.00000
+     34       5.8347      0.00000
+     35       5.8501      0.00000
+     36       6.3487      0.00000
+     37       7.5658      0.00000
+     38       8.0985      0.00000
+     39       8.1568      0.00000
+     40       8.8569      0.00000
+     41       8.9899      0.00000
+     42       9.1017      0.00000
+
+ k-point   3 :       0.3333    0.3333    0.0000
+  band No.  band energies     occupation 
+      1     -22.6576      1.00000
+      2     -22.6414      1.00000
+      3     -17.4804      1.00000
+      4     -17.1673      1.00000
+      5     -17.1195      1.00000
+      6     -17.0024      1.00000
+      7     -13.2660      1.00000
+      8      -8.3424      1.00000
+      9      -8.3209      1.00000
+     10      -8.3022      1.00000
+     11      -8.2913      1.00000
+     12      -7.0590      1.00000
+     13      -6.6198      1.00000
+     14      -6.5427      1.00000
+     15      -6.3086      1.00000
+     16      -6.2905      1.00000
+     17      -6.2150      1.00000
+     18      -5.7244      1.00000
+     19      -5.5590      1.00000
+     20      -5.2404      1.00000
+     21      -5.0117      1.00000
+     22      -4.9110      1.00000
+     23      -4.8023      1.00000
+     24      -4.7816      1.00000
+     25      -4.7741      1.00000
+     26      -4.7522      1.00000
+     27      -4.6454      0.97554
+     28      -4.5973      0.51996
+     29       3.2819      0.00000
+     30       3.6479      0.00000
+     31       4.7869      0.00000
+     32       5.3321      0.00000
+     33       5.5112      0.00000
+     34       5.5628      0.00000
+     35       5.8971      0.00000
+     36       6.5395      0.00000
+     37       6.7992      0.00000
+     38       6.8804      0.00000
+     39       7.0194      0.00000
+     40       7.7713      0.00000
+     41       8.0287      0.00000
+     42       8.1735      0.00000
+
+ k-point   4 :       0.0000    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -22.6673      1.00000
+      2     -22.6500      1.00000
+      3     -17.8599      1.00000
+      4     -17.1532      1.00000
+      5     -16.9044      1.00000
+      6     -16.9033      1.00000
+      7     -13.3452      1.00000
+      8      -8.2581      1.00000
+      9      -8.2581      1.00000
+     10      -8.2255      1.00000
+     11      -8.2255      1.00000
+     12      -6.8412      1.00000
+     13      -6.6467      1.00000
+     14      -6.4800      1.00000
+     15      -6.4800      1.00000
+     16      -6.1291      1.00000
+     17      -5.4940      1.00000
+     18      -5.4940      1.00000
+     19      -5.3852      1.00000
+     20      -5.3068      1.00000
+     21      -5.3068      1.00000
+     22      -5.2087      1.00000
+     23      -4.8859      1.00000
+     24      -4.7759      1.00000
+     25      -4.7759      1.00000
+     26      -4.7563      1.00000
+     27      -4.3999     -0.25438
+     28      -4.3999     -0.03063
+     29       1.5166      0.00000
+     30       2.0266      0.00000
+     31       3.4892      0.00000
+     32       4.3416      0.00000
+     33       5.8319      0.00000
+     34       5.9052      0.00000
+     35       7.0174      0.00000
+     36       7.3675      0.00000
+     37       7.7214      0.00000
+     38       8.3581      0.00000
+     39       8.8502      0.00000
+     40       8.8502      0.00000
+     41       9.0408      0.00000
+     42       9.5257      0.00000
+
+ k-point   5 :       0.3333    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -22.6622      1.00000
+      2     -22.6457      1.00000
+      3     -17.6502      1.00000
+      4     -17.1361      1.00000
+      5     -17.1296      1.00000
+      6     -16.8931      1.00000
+      7     -13.3100      1.00000
+      8      -8.3194      1.00000
+      9      -8.3130      1.00000
+     10      -8.2426      1.00000
+     11      -8.2181      1.00000
+     12      -6.8477      1.00000
+     13      -6.7019      1.00000
+     14      -6.3200      1.00000
+     15      -6.2211      1.00000
+     16      -6.2192      1.00000
+     17      -5.8341      1.00000
+     18      -5.6104      1.00000
+     19      -5.4777      1.00000
+     20      -5.4645      1.00000
+     21      -5.4331      1.00000
+     22      -5.0140      1.00000
+     23      -4.9284      1.00000
+     24      -4.8367      1.00000
+     25      -4.8237      1.00000
+     26      -4.7112      1.00000
+     27      -4.5984      0.87582
+     28      -4.3914     -0.07995
+     29       2.5016      0.00000
+     30       2.8799      0.00000
+     31       4.2928      0.00000
+     32       4.8313      0.00000
+     33       4.9352      0.00000
+     34       5.3197      0.00000
+     35       6.4612      0.00000
+     36       6.5061      0.00000
+     37       7.1604      0.00000
+     38       7.8847      0.00000
+     39       8.4583      0.00000
+     40       8.8795      0.00000
+     41       8.9704      0.00000
+     42       8.9820      0.00000
+
+ k-point   6 :       0.3333    0.3333    0.3333
+  band No.  band energies     occupation 
+      1     -22.6575      1.00000
+      2     -22.6412      1.00000
+      3     -17.4803      1.00000
+      4     -17.1673      1.00000
+      5     -17.1196      1.00000
+      6     -17.0024      1.00000
+      7     -13.2659      1.00000
+      8      -8.3424      1.00000
+      9      -8.3210      1.00000
+     10      -8.3019      1.00000
+     11      -8.2910      1.00000
+     12      -7.0254      1.00000
+     13      -6.7533      1.00000
+     14      -6.4574      1.00000
+     15      -6.3109      1.00000
+     16      -6.2564      1.00000
+     17      -6.2151      1.00000
+     18      -5.7241      1.00000
+     19      -5.5553      1.00000
+     20      -5.2766      1.00000
+     21      -5.0115      1.00000
+     22      -4.9113      1.00000
+     23      -4.8130      1.00000
+     24      -4.7997      1.00000
+     25      -4.7519      1.00000
+     26      -4.7125      1.00000
+     27      -4.6453      0.97633
+     28      -4.6131      0.57883
+     29       3.3014      0.00000
+     30       3.6084      0.00000
+     31       4.8465      0.00000
+     32       5.3482      0.00000
+     33       5.4729      0.00000
+     34       5.4832      0.00000
+     35       6.0866      0.00000
+     36       6.5092      0.00000
+     37       6.5749      0.00000
+     38       6.9062      0.00000
+     39       7.1896      0.00000
+     40       7.6688      0.00000
+     41       7.7039      0.00000
+     42       8.3558      0.00000
+
+ spin component 2
+
+ k-point   1 :       0.0000    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -19.3067      1.00000
+      2     -19.2777      1.00000
+      3     -13.5369      1.00000
+      4     -12.6987      1.00000
+      5     -12.3150      1.00000
+      6     -12.1833      1.00000
+      7     -10.8527      1.00000
+      8      -5.3757      1.00000
+      9      -5.1443      1.00000
+     10      -4.2384      0.00000
+     11      -4.2384      0.00000
+     12      -4.1291      0.00000
+     13      -4.1291      0.00000
+     14      -2.5395      0.00000
+     15      -2.5395      0.00000
+     16      -2.3922      0.00000
+     17      -2.3525      0.00000
+     18      -2.3525      0.00000
+     19      -1.8972      0.00000
+     20      -1.4144      0.00000
+     21      -1.2561      0.00000
+     22      -1.2561      0.00000
+     23      -1.0221      0.00000
+     24      -0.9176      0.00000
+     25      -0.9176      0.00000
+     26      -0.6548      0.00000
+     27      -0.1961      0.00000
+     28      -0.1961      0.00000
+     29       2.2964      0.00000
+     30       3.3324      0.00000
+     31       4.0916      0.00000
+     32       6.0250      0.00000
+     33       6.3425      0.00000
+     34       6.3705      0.00000
+     35       8.1129      0.00000
+     36       8.5485      0.00000
+     37       8.8973      0.00000
+     38       9.0570      0.00000
+     39       9.8996      0.00000
+     40       9.8996      0.00000
+     41      10.2817      0.00000
+     42      11.7177      0.00000
+
+ k-point   2 :       0.3333    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -19.2985      1.00000
+      2     -19.2709      1.00000
+      3     -13.2634      1.00000
+      4     -12.6667      1.00000
+      5     -12.5261      1.00000
+      6     -12.2607      1.00000
+      7     -10.7993      1.00000
+      8      -5.4302      1.00000
+      9      -5.1220      1.00000
+     10      -4.3721      0.00000
+     11      -4.3459      0.00000
+     12      -4.1763      0.00000
+     13      -4.1113      0.00000
+     14      -2.8252      0.00000
+     15      -2.5119      0.00000
+     16      -2.4544      0.00000
+     17      -2.3848      0.00000
+     18      -2.1908      0.00000
+     19      -1.8707      0.00000
+     20      -1.6738      0.00000
+     21      -1.6489      0.00000
+     22      -1.2185      0.00000
+     23      -1.1810      0.00000
+     24      -1.1329      0.00000
+     25      -0.7246      0.00000
+     26      -0.4343      0.00000
+     27      -0.4054      0.00000
+     28      -0.3790      0.00000
+     29       3.4689      0.00000
+     30       4.0461      0.00000
+     31       5.1165      0.00000
+     32       5.7373      0.00000
+     33       5.9585      0.00000
+     34       6.8168      0.00000
+     35       7.1524      0.00000
+     36       7.2957      0.00000
+     37       8.7247      0.00000
+     38       9.1236      0.00000
+     39       9.7215      0.00000
+     40       9.7600      0.00000
+     41       9.8658      0.00000
+     42      10.1035      0.00000
+
+ k-point   3 :       0.3333    0.3333    0.0000
+  band No.  band energies     occupation 
+      1     -19.2912      1.00000
+      2     -19.2644      1.00000
+      3     -13.0318      1.00000
+      4     -12.6366      1.00000
+      5     -12.5486      1.00000
+      6     -12.4304      1.00000
+      7     -10.7352      1.00000
+      8      -5.4014      1.00000
+      9      -5.1043      1.00000
+     10      -4.4871      0.00000
+     11      -4.3989      0.00000
+     12      -4.3187      0.00000
+     13      -4.2769      0.00000
+     14      -3.1200      0.00000
+     15      -2.6951      0.00000
+     16      -2.6010      0.00000
+     17      -2.4852      0.00000
+     18      -2.4576      0.00000
+     19      -2.2784      0.00000
+     20      -1.6405      0.00000
+     21      -1.6155      0.00000
+     22      -1.4355      0.00000
+     23      -1.2976      0.00000
+     24      -0.5091      0.00000
+     25      -0.4816      0.00000
+     26      -0.3938      0.00000
+     27      -0.3370      0.00000
+     28      -0.1283      0.00000
+     29       4.2848      0.00000
+     30       4.6760      0.00000
+     31       5.6701      0.00000
+     32       6.3746      0.00000
+     33       6.3965      0.00000
+     34       6.5210      0.00000
+     35       6.9633      0.00000
+     36       7.4311      0.00000
+     37       7.7612      0.00000
+     38       7.8304      0.00000
+     39       8.0615      0.00000
+     40       8.6864      0.00000
+     41       9.1886      0.00000
+     42       9.7016      0.00000
+
+ k-point   4 :       0.0000    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -19.3066      1.00000
+      2     -19.2777      1.00000
+      3     -13.5368      1.00000
+      4     -12.6989      1.00000
+      5     -12.3147      1.00000
+      6     -12.1833      1.00000
+      7     -10.8527      1.00000
+      8      -5.3799      1.00000
+      9      -5.1391      1.00000
+     10      -4.2380      0.00000
+     11      -4.2380      0.00000
+     12      -4.1295      0.00000
+     13      -4.1295      0.00000
+     14      -2.5383      0.00000
+     15      -2.5383      0.00000
+     16      -2.3958      0.00000
+     17      -2.3538      0.00000
+     18      -2.3538      0.00000
+     19      -1.9165      0.00000
+     20      -1.3627      0.00000
+     21      -1.2559      0.00000
+     22      -1.2559      0.00000
+     23      -1.0221      0.00000
+     24      -0.9176      0.00000
+     25      -0.9176      0.00000
+     26      -0.6921      0.00000
+     27      -0.1960      0.00000
+     28      -0.1960      0.00000
+     29       2.4043      0.00000
+     30       3.0656      0.00000
+     31       4.4347      0.00000
+     32       5.4875      0.00000
+     33       6.3490      0.00000
+     34       6.8906      0.00000
+     35       7.9996      0.00000
+     36       8.2667      0.00000
+     37       9.0688      0.00000
+     38       9.1833      0.00000
+     39       9.9133      0.00000
+     40       9.9133      0.00000
+     41      10.1306      0.00000
+     42      10.1306      0.00000
+
+ k-point   5 :       0.3333    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -19.2986      1.00000
+      2     -19.2711      1.00000
+      3     -13.2634      1.00000
+      4     -12.6671      1.00000
+      5     -12.5260      1.00000
+      6     -12.2607      1.00000
+      7     -10.7994      1.00000
+      8      -5.4293      1.00000
+      9      -5.1237      1.00000
+     10      -4.3714      0.00000
+     11      -4.3471      0.00000
+     12      -4.1761      0.00000
+     13      -4.1116      0.00000
+     14      -2.8160      0.00000
+     15      -2.5123      0.00000
+     16      -2.4647      0.00000
+     17      -2.3847      0.00000
+     18      -2.1910      0.00000
+     19      -1.8672      0.00000
+     20      -1.6881      0.00000
+     21      -1.6349      0.00000
+     22      -1.2188      0.00000
+     23      -1.1806      0.00000
+     24      -1.1329      0.00000
+     25      -0.7311      0.00000
+     26      -0.4343      0.00000
+     27      -0.3991      0.00000
+     28      -0.3808      0.00000
+     29       3.5068      0.00000
+     30       3.9593      0.00000
+     31       5.2295      0.00000
+     32       5.7888      0.00000
+     33       5.8974      0.00000
+     34       6.5126      0.00000
+     35       7.4085      0.00000
+     36       7.4894      0.00000
+     37       8.3303      0.00000
+     38       9.3246      0.00000
+     39       9.6559      0.00000
+     40       9.7536      0.00000
+     41       9.7623      0.00000
+     42      10.0946      0.00000
+
+ k-point   6 :       0.3333    0.3333    0.3333
+  band No.  band energies     occupation 
+      1     -19.2910      1.00000
+      2     -19.2643      1.00000
+      3     -13.0316      1.00000
+      4     -12.6368      1.00000
+      5     -12.5486      1.00000
+      6     -12.4302      1.00000
+      7     -10.7352      1.00000
+      8      -5.3930      1.00000
+      9      -5.1159      1.00000
+     10      -4.4876      0.00000
+     11      -4.3986      0.00000
+     12      -4.3181      0.00000
+     13      -4.2760      0.00000
+     14      -3.1090      0.00000
+     15      -2.7031      0.00000
+     16      -2.6037      0.00000
+     17      -2.4866      0.00000
+     18      -2.4522      0.00000
+     19      -2.2751      0.00000
+     20      -1.6392      0.00000
+     21      -1.6162      0.00000
+     22      -1.4353      0.00000
+     23      -1.3111      0.00000
+     24      -0.5091      0.00000
+     25      -0.4713      0.00000
+     26      -0.3939      0.00000
+     27      -0.3386      0.00000
+     28      -0.1282      0.00000
+     29       4.2752      0.00000
+     30       4.6861      0.00000
+     31       5.6389      0.00000
+     32       6.3825      0.00000
+     33       6.5070      0.00000
+     34       6.5086      0.00000
+     35       7.0160      0.00000
+     36       7.3404      0.00000
+     37       7.6978      0.00000
+     38       7.8113      0.00000
+     39       7.9754      0.00000
+     40       8.7954      0.00000
+     41       8.9843      0.00000
+     42       9.9391      0.00000
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+ soft charge-density along one line, spin component           1
+         0         1         2         3         4         5         6         7         8         9
+ total charge-density along one line
+ 
+ soft charge-density along one line, spin component           2
+         0         1         2         3         4         5         6         7         8         9
+ total charge-density along one line
+ 
+ pseudopotential strength for first ion, spin component:           1
+ 10.503   0.030   0.000   0.000   0.000   0.000   0.000   0.000
+  0.030  -0.001   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000  -4.529   0.000   0.000  -0.026   0.000   0.000
+  0.000   0.000   0.000  -4.562   0.000   0.000  -0.032   0.000
+  0.000   0.000   0.000   0.000  -4.529   0.000   0.000  -0.026
+  0.000   0.000  -0.026   0.000   0.000  -0.775   0.000   0.000
+  0.000   0.000   0.000  -0.032   0.000   0.000  -0.775   0.000
+  0.000   0.000   0.000   0.000  -0.026   0.000   0.000  -0.775
+ pseudopotential strength for first ion, spin component:           2
+ 10.026   0.005   0.000   0.000   0.000   0.000   0.000   0.000
+  0.005  -0.001   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000  -4.498   0.000   0.000   0.067   0.000   0.000
+  0.000   0.000   0.000  -4.507   0.000   0.000   0.084   0.000
+  0.000   0.000   0.000   0.000  -4.498   0.000   0.000   0.067
+  0.000   0.000   0.067   0.000   0.000  -0.766   0.000   0.000
+  0.000   0.000   0.000   0.084   0.000   0.000  -0.766   0.000
+  0.000   0.000   0.000   0.000   0.067   0.000   0.000  -0.766
+ total augmentation occupancy for first ion, spin component:           1
+  2.027   0.135   0.000   0.000   0.000   0.000   0.000   0.000
+  0.135   0.020   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.610   0.000   0.000  -0.002   0.000   0.000
+  0.000   0.000   0.000   1.096   0.000   0.000  -0.014   0.000
+  0.000   0.000   0.000   0.000   0.610   0.000   0.000  -0.002
+  0.000   0.000  -0.002   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000  -0.014   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000   0.000  -0.002   0.000   0.000   0.000
+ total augmentation occupancy for first ion, spin component:           2
+  0.050  -0.121   0.000   0.000   0.000   0.000   0.000   0.000
+ -0.121  -0.015   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.599   0.000   0.000  -0.002   0.000   0.000
+  0.000   0.000   0.000   1.095   0.000   0.000  -0.014   0.000
+  0.000   0.000   0.000   0.000   0.599   0.000   0.000  -0.002
+  0.000   0.000  -0.002   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000  -0.014   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000   0.000  -0.002   0.000   0.000   0.000
+
+
+------------------------ aborting loop because EDIFF is reached ----------------------------------------
+
+
+ 
+
+
+ total charge     
+ 
+# of ion     s       p       d       tot
+----------------------------------------
+  1        1.063   1.013   0.000   2.076
+  2        1.629   2.875   0.000   4.504
+  3        1.629   2.875   0.000   4.504
+  4        1.368   1.908   0.000   3.276
+  5        1.368   1.908   0.000   3.276
+  6        1.367   1.914   0.000   3.281
+  7        1.366   1.917   0.000   3.282
+------------------------------------------------
+tot        9.789  14.410   0.000  24.199
+ 
+
+
+ magnetization (x)
+ 
+# of ion     s       p       d       tot
+----------------------------------------
+  1        0.036   1.003   0.000   1.038
+  2        0.018   1.551   0.000   1.569
+  3        0.018   1.551   0.000   1.569
+  4        0.043   1.878   0.000   1.922
+  5        0.043   1.878   0.000   1.922
+  6        0.047   1.911   0.000   1.958
+  7        0.049   1.913   0.000   1.962
+------------------------------------------------
+tot        0.255  11.685   0.000  11.940
+ 
+    CHARGE:  cpu time    0.10: real time    0.10
+    FORLOC:  cpu time    0.01: real time    0.01
+    FORNL :  cpu time    0.40: real time    0.40
+    STRESS:  cpu time    0.54: real time    0.54
+    FORHAR:  cpu time    0.03: real time    0.03
+    MIXING:  cpu time    0.01: real time    0.01
+
+  FORCE on cell =-STRESS in cart. coord.  units (eV):
+  Direction    XX          YY          ZZ          XY          YZ          ZX
+  --------------------------------------------------------------------------------------
+  Alpha Z    21.87280    21.87280    21.87280
+  Ewald    -351.21878  -351.21878  -352.44530     0.00000     0.00000     0.00000
+  Hartree   273.49966   273.49966   270.96363     0.00000     0.00000     0.00000
+  E(xc)    -153.61099  -153.61099  -152.97590     0.00000     0.00000     0.00000
+  Local    -393.90671  -393.90671  -445.11271     0.00000     0.00000     0.00000
+  n-local   -58.76716   -56.76988   -74.13090     0.48912     0.04012     0.05947
+  augment    11.86122    11.86122    19.00996     0.00000     0.00000     0.00000
+  Kinetic   651.80217   644.10744   711.63666    -2.13748    -0.15180    -0.23007
+  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+  -------------------------------------------------------------------------------------
+  Total      -1.31651    -1.31651    -1.18176     0.00000     0.00000     0.00000
+  in kB      -8.38810    -8.38810    -7.52954     0.00000     0.00000     0.00000
+  external pressure =       -8.10 kB  Pullay stress =        0.00 kB
+
+
+ VOLUME and BASIS-vectors are now :
+ -----------------------------------------------------------------------------
+  energy-cutoff  :      400.00
+  volume of cell :      251.46
+      direct lattice vectors                 reciprocal lattice vectors
+     4.351029595  0.000000000  0.000000000     0.229830659  0.000000000  0.000000000
+     0.000000000  4.351029595  0.000000000     0.000000000  0.229830659  0.000000000
+     0.000000000  0.000000000 13.282718447     0.000000000  0.000000000  0.075285794
+
+  length of vectors
+     4.351029595  4.351029595 13.282718447     0.229830659  0.229830659  0.075285794
+
+
+ FORCES acting on ions
+    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
+ -----------------------------------------------------------------------------------------------
+   -.540E-15 -.539E-15 -.219E-14   0.125E-15 0.708E-15 -.648E-14   0.627E-27 0.717E-27 0.000E+00   0.134E-14 -.198E-13 0.541E-13
+   0.170E-12 -.562E-12 -.284E+02   -.167E-14 -.444E-15 0.294E+02   -.214E-18 -.107E-18 0.686E+00   -.451E-13 0.599E-13 -.174E+01
+   0.179E-12 -.964E-12 0.284E+02   0.175E-14 -.144E-15 -.294E+02   0.214E-18 0.107E-18 -.686E+00   -.808E-13 -.694E-13 0.174E+01
+   0.666E-13 -.993E-12 0.667E+02   0.502E-17 -.439E-15 -.654E+02   0.208E-18 -.880E-19 -.118E+01   -.211E-13 0.112E-12 -.404E+00
+   0.638E-13 -.300E-12 -.667E+02   -.895E-15 -.649E-15 0.654E+02   -.208E-18 0.880E-19 0.118E+01   -.372E-13 -.200E-12 0.404E+00
+   0.750E-13 0.710E-15 -.158E-12   -.395E-14 0.209E-15 -.711E-14   0.993E-26 0.704E-25 0.000E+00   -.310E-13 0.604E-13 -.879E-14
+   0.112E-14 0.787E-13 0.233E-12   0.410E-14 0.261E-15 0.142E-13   -.657E-25 -.234E-25 0.000E+00   -.121E-13 -.479E-13 0.941E-14
+ -----------------------------------------------------------------------------------------------
+   0.555E-12 -.274E-11 0.238E-11   -.519E-15 -.498E-15 -.711E-14   -.515E-25 0.520E-25 0.222E-15   -.226E-12 -.105E-12 0.483E-12
+ 
+ 
+ POSITION                                       TOTAL-FORCE (eV/Angst)
+ -----------------------------------------------------------------------------------
+      0.00000      0.00000      0.00000         0.000000      0.000000      0.000000
+      2.17551      2.17551     11.45048         0.000000      0.000000     -0.014422
+      2.17551      2.17551      1.83224         0.000000      0.000000      0.014422
+      2.17551      2.17551      4.55888         0.000000      0.000000     -0.351513
+      2.17551      2.17551      8.72384         0.000000      0.000000      0.351513
+      2.17551      0.00000      6.64136         0.000000      0.000000      0.000000
+      0.00000      2.17551      6.64136         0.000000      0.000000      0.000000
+ -----------------------------------------------------------------------------------
+    total drift:                                0.000000      0.000000      0.000000
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
+  ---------------------------------------------------
+  free  energy   TOTEN  =       -17.677573 eV
+
+  energy  without entropy=      -17.677573  energy(sigma->0) =      -17.677573
+ 
+ d Force =-0.1161215E-02[-0.318E-03,-0.200E-02]  d Energy = 0.1186703E+00-0.120E+00
+ d Force =-0.3347609E+00[-0.337E+00,-0.333E+00]  d Ewald  =-0.5209181E+01 0.487E+01
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+    POTLOK:  cpu time    0.62: real time    0.62
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+    WAVPRE:  cpu time    0.01: real time    0.02
+    FEWALD:  cpu time    0.00: real time    0.00
+    GENKIN:  cpu time    0.00: real time    0.00
+    ORTHCH:  cpu time    0.09: real time    0.09
+     LOOP+:  cpu time   21.96: real time   22.89
+
+
+----------------------------------------- Iteration   10(   1)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.17
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.58: real time    2.58
+ BZINTS: Fermi energy: -4.460830; 36.000000 electrons
+         Band energy:-356.592302;  BLOECHL correction: -0.020321
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.32: real time    3.35
+
+ eigenvalue-minimisations  :  1042
+ total energy-change (2. order) :-0.2949261E-02  (-0.2234200E-01)
+ number of electron      35.9999983 magnetization      17.6809086
+ augmentation part        1.5053556 magnetization       2.0741076
+
+ Broyden mixing:
+  rms(total) = 0.20133E+00    rms(broyden)= 0.20128E+00
+  rms(prec ) = 0.24219E+00
+  weight for this iteration     100.00
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        22.02450069
+  Ewald energy   TEWEN  =     -1057.48108842
+  -1/2 Hartree   DENC   =      -829.02008243
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.77748965
+  PAW double counting   =      1007.55302479    -1017.49042749
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -356.59230242
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.67526004 eV
+
+  energy without entropy =      -17.67526004  energy(sigma->0) =      -17.67526004
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration   10(   2)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.54: real time    2.54
+ BZINTS: Fermi energy: -4.444251; 36.000000 electrons
+         Band energy:-362.261440;  BLOECHL correction: -0.014814
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.28: real time    3.36
+
+ eigenvalue-minimisations  :  1016
+ total energy-change (2. order) :-0.3678621E+00  (-0.4125304E-01)
+ number of electron      35.9999985 magnetization      17.5708264
+ augmentation part        1.7695009 magnetization       5.5058211
+
+ Broyden mixing:
+  rms(total) = 0.16119E+01    rms(broyden)= 0.16100E+01
+  rms(prec ) = 0.19438E+01
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.0918
+  0.0918
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        22.02450069
+  Ewald energy   TEWEN  =     -1057.48108842
+  -1/2 Hartree   DENC   =      -823.74290094
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.69023287
+  PAW double counting   =      1000.27837760    -1010.10442987
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -362.26143962
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -18.04312210 eV
+
+  energy without entropy =      -18.04312210  energy(sigma->0) =      -18.04312210
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration   10(   3)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.18: real time    0.18
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.54: real time    2.54
+ BZINTS: Fermi energy: -4.520719; 36.000000 electrons
+         Band energy:-359.029408;  BLOECHL correction: -0.020007
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.27: real time    3.50
+
+ eigenvalue-minimisations  :  1014
+ total energy-change (2. order) : 0.4792008E+00  (-0.2272177E-01)
+ number of electron      35.9999983 magnetization      17.5969617
+ augmentation part        1.5141332 magnetization       1.9978314
+
+ Broyden mixing:
+  rms(total) = 0.18245E+00    rms(broyden)= 0.17210E+00
+  rms(prec ) = 0.20600E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.5181
+  0.0924  0.9438
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        22.02450069
+  Ewald energy   TEWEN  =     -1057.48108842
+  -1/2 Hartree   DENC   =      -826.27617550
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.56873894
+  PAW double counting   =      1004.72867423    -1014.65278934
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -359.02940753
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.56392134 eV
+
+  energy without entropy =      -17.56392134  energy(sigma->0) =      -17.56392134
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration   10(   4)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.17
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.43: real time    2.43
+ BZINTS: Fermi energy: -4.512298; 36.000000 electrons
+         Band energy:-359.977854;  BLOECHL correction: -0.021266
+       DOS:  cpu time    0.01: real time    0.01
+    CHARGE:  cpu time    0.10: real time    0.10
+    MIXING:  cpu time    0.00: real time    0.00
+    --------------------------------------------
+      LOOP:  cpu time    3.16: real time    3.25
+
+ eigenvalue-minimisations  :   956
+ total energy-change (2. order) :-0.7408276E-01  (-0.1931332E-02)
+ number of electron      35.9999983 magnetization      17.6238584
+ augmentation part        1.5205808 magnetization       2.0291528
+
+ Broyden mixing:
+  rms(total) = 0.14535E+00    rms(broyden)= 0.14474E+00
+  rms(prec ) = 0.17423E+00
+  weight for this iteration     100.00
+
+ eigenvalues of (default mixing * dielectric matrix)
+  average eigenvalue GAMMA=   0.6251
+  0.8909  0.8909  0.0934
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        22.02450069
+  Ewald energy   TEWEN  =     -1057.48108842
+  -1/2 Hartree   DENC   =      -825.36505133
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.51213499
+  PAW double counting   =      1004.35052757    -1014.25479901
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -359.97785418
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.63800410 eV
+
+  energy without entropy =      -17.63800410  energy(sigma->0) =      -17.63800410
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+----------------------------------------- Iteration   10(   5)  ---------------------------------------
+
+
+    POTLOK:  cpu time    0.17: real time    0.17
+    SETDIJ:  cpu time    0.44: real time    0.44
+     EDDAV:  cpu time    2.36: real time    2.36
+ BZINTS: Fermi energy: -4.515122; 36.000000 electrons
+         Band energy:-360.166720;  BLOECHL correction: -0.024990
+       DOS:  cpu time    0.01: real time    0.01
+    --------------------------------------------
+      LOOP:  cpu time    2.98: real time    3.07
+
+ eigenvalue-minimisations  :   916
+ total energy-change (2. order) :-0.9300575E-02  (-0.2462774E-02)
+ number of electron      35.9999983 magnetization      17.6238584
+ augmentation part        1.5205808 magnetization       2.0291528
+
+ Free energy of the ion-electron system (eV)
+  ---------------------------------------------------
+  alpha Z        PSCENC =        22.02450069
+  Ewald energy   TEWEN  =     -1057.48108842
+  -1/2 Hartree   DENC   =      -825.21023004
+  -exchange  EXHF       =         0.00000000
+  -V(xc)+E(xc)   XCENC  =       143.53638194
+  PAW double counting   =      1004.67968855    -1014.58346310
+  entropy T*S    EENTRO =         0.00000000
+  eigenvalues    EBANDS =      -360.16671989
+  atomic energy  EATOM  =      2069.55362560
+  ---------------------------------------------------
+  free energy    TOTEN  =       -17.64730467 eV
+
+  energy without entropy =      -17.64730467  energy(sigma->0) =      -17.64730467
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+ average (electrostatic) potential at core
+  the test charge radii are     0.6991  0.7215  0.7089
+  (the norm of the test charge is              1.0000)
+       1 -60.3589       2 -80.4687       3 -80.4687       4 -72.2772       5 -72.2772
+       6 -72.3195       7 -72.3195
+ 
+ 
+ 
+ E-fermi :  -4.5151     XC(G=0):  -5.2571     alpha+bet : -2.3938
+
+
+ spin component 1
+
+ k-point   1 :       0.0000    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -22.8335      1.00000
+      2     -22.8164      1.00000
+      3     -17.8204      1.00000
+      4     -17.1129      1.00000
+      5     -16.8575      1.00000
+      6     -16.8433      1.00000
+      7     -13.2115      1.00000
+      8      -8.4393      1.00000
+      9      -8.4393      1.00000
+     10      -8.4081      1.00000
+     11      -8.4081      1.00000
+     12      -6.8713      1.00000
+     13      -6.7980      1.00000
+     14      -6.4376      1.00000
+     15      -6.4376      1.00000
+     16      -6.0921      1.00000
+     17      -5.4473      1.00000
+     18      -5.4473      1.00000
+     19      -5.3299      1.00000
+     20      -5.2541      1.00000
+     21      -5.2541      1.00000
+     22      -5.2178      1.00000
+     23      -4.8082      1.00000
+     24      -4.7153      1.00000
+     25      -4.7153      1.00000
+     26      -4.6372      1.00000
+     27      -4.2900     -0.42448
+     28      -4.2900     -0.00669
+     29       1.4211      0.00000
+     30       2.1741      0.00000
+     31       3.1902      0.00000
+     32       5.1019      0.00000
+     33       5.1920      0.00000
+     34       5.8501      0.00000
+     35       7.3749      0.00000
+     36       7.4876      0.00000
+     37       7.8526      0.00000
+     38       8.0789      0.00000
+     39       8.8321      0.00000
+     40       8.8321      0.00000
+     41       9.0820      0.00000
+     42       9.2224      0.00000
+
+ k-point   2 :       0.3333    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -22.8284      1.00000
+      2     -22.8117      1.00000
+      3     -17.6077      1.00000
+      4     -17.0952      1.00000
+      5     -17.0759      1.00000
+      6     -16.8431      1.00000
+      7     -13.1749      1.00000
+      8      -8.4989      1.00000
+      9      -8.4922      1.00000
+     10      -8.4244      1.00000
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+     12      -6.9425      1.00000
+     13      -6.7416      1.00000
+     14      -6.2760      1.00000
+     15      -6.2422      1.00000
+     16      -6.1741      1.00000
+     17      -5.7789      1.00000
+     18      -5.6062      1.00000
+     19      -5.4302      1.00000
+     20      -5.4099      1.00000
+     21      -5.3834      1.00000
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+     23      -4.8730      1.00000
+     24      -4.7537      1.00000
+     25      -4.7419      1.00000
+     26      -4.6261      1.00000
+     27      -4.5161      0.76044
+     28      -4.2797     -0.07944
+     29       2.4304      0.00000
+     30       2.9347      0.00000
+     31       4.1370      0.00000
+     32       4.8061      0.00000
+     33       5.0405      0.00000
+     34       5.8616      0.00000
+     35       5.8729      0.00000
+     36       6.3929      0.00000
+     37       7.6042      0.00000
+     38       8.1726      0.00000
+     39       8.2037      0.00000
+     40       8.8629      0.00000
+     41       9.0390      0.00000
+     42       9.1341      0.00000
+
+ k-point   3 :       0.3333    0.3333    0.0000
+  band No.  band energies     occupation 
+      1     -22.8237      1.00000
+      2     -22.8075      1.00000
+      3     -17.4348      1.00000
+      4     -17.1126      1.00000
+      5     -17.0782      1.00000
+      6     -16.9557      1.00000
+      7     -13.1285      1.00000
+      8      -8.5212      1.00000
+      9      -8.5003      1.00000
+     10      -8.4828      1.00000
+     11      -8.4730      1.00000
+     12      -7.0804      1.00000
+     13      -6.6987      1.00000
+     14      -6.5752      1.00000
+     15      -6.2809      1.00000
+     16      -6.2653      1.00000
+     17      -6.1739      1.00000
+     18      -5.6791      1.00000
+     19      -5.5163      1.00000
+     20      -5.2245      1.00000
+     21      -4.9520      1.00000
+     22      -4.8551      1.00000
+     23      -4.7398      1.00000
+     24      -4.7329      1.00000
+     25      -4.6884      1.00000
+     26      -4.6154      1.00000
+     27      -4.5464      0.91556
+     28      -4.5186      0.35232
+     29       3.2509      0.00000
+     30       3.6002      0.00000
+     31       4.8296      0.00000
+     32       5.3319      0.00000
+     33       5.4779      0.00000
+     34       5.5604      0.00000
+     35       5.9236      0.00000
+     36       6.5500      0.00000
+     37       6.8460      0.00000
+     38       6.8893      0.00000
+     39       7.0699      0.00000
+     40       7.7990      0.00000
+     41       8.0594      0.00000
+     42       8.2434      0.00000
+
+ k-point   4 :       0.0000    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -22.8335      1.00000
+      2     -22.8162      1.00000
+      3     -17.8204      1.00000
+      4     -17.1129      1.00000
+      5     -16.8574      1.00000
+      6     -16.8433      1.00000
+      7     -13.2115      1.00000
+      8      -8.4391      1.00000
+      9      -8.4391      1.00000
+     10      -8.4080      1.00000
+     11      -8.4080      1.00000
+     12      -6.9174      1.00000
+     13      -6.7318      1.00000
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+     15      -6.4376      1.00000
+     16      -6.1262      1.00000
+     17      -5.4472      1.00000
+     18      -5.4472      1.00000
+     19      -5.3298      1.00000
+     20      -5.2541      1.00000
+     21      -5.2541      1.00000
+     22      -5.1975      1.00000
+     23      -4.7749      1.00000
+     24      -4.7150      1.00000
+     25      -4.7150      1.00000
+     26      -4.6766      1.00000
+     27      -4.2900     -0.41587
+     28      -4.2900     -0.00843
+     29       1.4933      0.00000
+     30       1.9924      0.00000
+     31       3.5168      0.00000
+     32       4.3706      0.00000
+     33       5.8573      0.00000
+     34       5.9251      0.00000
+     35       7.0701      0.00000
+     36       7.3537      0.00000
+     37       7.7900      0.00000
+     38       8.3717      0.00000
+     39       8.8512      0.00000
+     40       8.8513      0.00000
+     41       9.0547      0.00000
+     42       9.5593      0.00000
+
+ k-point   5 :       0.3333    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -22.8284      1.00000
+      2     -22.8119      1.00000
+      3     -17.6077      1.00000
+      4     -17.0953      1.00000
+      5     -17.0759      1.00000
+      6     -16.8431      1.00000
+      7     -13.1749      1.00000
+      8      -8.4990      1.00000
+      9      -8.4924      1.00000
+     10      -8.4245      1.00000
+     11      -8.4007      1.00000
+     12      -6.9289      1.00000
+     13      -6.7652      1.00000
+     14      -6.2895      1.00000
+     15      -6.2090      1.00000
+     16      -6.1742      1.00000
+     17      -5.8057      1.00000
+     18      -5.5822      1.00000
+     19      -5.4304      1.00000
+     20      -5.4099      1.00000
+     21      -5.3834      1.00000
+     22      -4.9661      1.00000
+     23      -4.8731      1.00000
+     24      -4.7807      1.00000
+     25      -4.7057      1.00000
+     26      -4.6192      1.00000
+     27      -4.5238      0.78043
+     28      -4.2798     -0.08052
+     29       2.4746      0.00000
+     30       2.8404      0.00000
+     31       4.3247      0.00000
+     32       4.8419      0.00000
+     33       4.9366      0.00000
+     34       5.3228      0.00000
+     35       6.4867      0.00000
+     36       6.5412      0.00000
+     37       7.2022      0.00000
+     38       7.9518      0.00000
+     39       8.5170      0.00000
+     40       8.8858      0.00000
+     41       9.0115      0.00000
+     42       9.0287      0.00000
+
+ k-point   6 :       0.3333    0.3333    0.3333
+  band No.  band energies     occupation 
+      1     -22.8236      1.00000
+      2     -22.8074      1.00000
+      3     -17.4348      1.00000
+      4     -17.1126      1.00000
+      5     -17.0782      1.00000
+      6     -16.9556      1.00000
+      7     -13.1285      1.00000
+      8      -8.5212      1.00000
+      9      -8.5003      1.00000
+     10      -8.4826      1.00000
+     11      -8.4727      1.00000
+     12      -7.0361      1.00000
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+     14      -6.4832      1.00000
+     15      -6.2786      1.00000
+     16      -6.2541      1.00000
+     17      -6.1739      1.00000
+     18      -5.6789      1.00000
+     19      -5.5133      1.00000
+     20      -5.2564      1.00000
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+     22      -4.8553      1.00000
+     23      -4.7607      1.00000
+     24      -4.6897      1.00000
+     25      -4.6881      1.00000
+     26      -4.6122      1.00000
+     27      -4.5463      0.91655
+     28      -4.5285      0.38569
+     29       3.2689      0.00000
+     30       3.5653      0.00000
+     31       4.8806      0.00000
+     32       5.3481      0.00000
+     33       5.4520      0.00000
+     34       5.4878      0.00000
+     35       6.1108      0.00000
+     36       6.5146      0.00000
+     37       6.5833      0.00000
+     38       6.9468      0.00000
+     39       7.2300      0.00000
+     40       7.7075      0.00000
+     41       7.7512      0.00000
+     42       8.4280      0.00000
+
+ spin component 2
+
+ k-point   1 :       0.0000    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -19.3765      1.00000
+      2     -19.3472      1.00000
+      3     -13.4866      1.00000
+      4     -12.6314      1.00000
+      5     -12.2450      1.00000
+      6     -12.1149      1.00000
+      7     -10.6525      1.00000
+      8      -5.4561      1.00000
+      9      -5.2264      1.00000
+     10      -4.2909     -0.02999
+     11      -4.2909      0.00000
+     12      -4.1919      0.00000
+     13      -4.1919      0.00000
+     14      -2.4873      0.00000
+     15      -2.4873      0.00000
+     16      -2.3430      0.00000
+     17      -2.0728      0.00000
+     18      -2.0728      0.00000
+     19      -1.8986      0.00000
+     20      -1.3264      0.00000
+     21      -1.2088      0.00000
+     22      -1.2088      0.00000
+     23      -0.9682      0.00000
+     24      -0.8649      0.00000
+     25      -0.8649      0.00000
+     26      -0.5750      0.00000
+     27      -0.1228      0.00000
+     28      -0.1228      0.00000
+     29       2.3544      0.00000
+     30       3.3826      0.00000
+     31       4.1605      0.00000
+     32       6.0887      0.00000
+     33       6.4120      0.00000
+     34       6.4528      0.00000
+     35       8.1963      0.00000
+     36       8.6325      0.00000
+     37       8.9898      0.00000
+     38       9.2043      0.00000
+     39       9.9500      0.00000
+     40       9.9500      0.00000
+     41      10.3423      0.00000
+     42      11.7711      0.00000
+
+ k-point   2 :       0.3333    0.0000    0.0000
+  band No.  band energies     occupation 
+      1     -19.3681      1.00000
+      2     -19.3402      1.00000
+      3     -13.2086      1.00000
+      4     -12.5983      1.00000
+      5     -12.4626      1.00000
+      6     -12.1910      1.00000
+      7     -10.5973      1.00000
+      8      -5.5057      1.00000
+      9      -5.2047      1.00000
+     10      -4.4331     -0.07885
+     11      -4.4025      0.00000
+     12      -4.2362      0.00000
+     13      -4.1741      0.00000
+     14      -2.5914      0.00000
+     15      -2.4738      0.00000
+     16      -2.3758      0.00000
+     17      -2.1379      0.00000
+     18      -2.0933      0.00000
+     19      -1.8170      0.00000
+     20      -1.6493      0.00000
+     21      -1.6086      0.00000
+     22      -1.1703      0.00000
+     23      -1.1311      0.00000
+     24      -1.0781      0.00000
+     25      -0.6524      0.00000
+     26      -0.3681      0.00000
+     27      -0.3186      0.00000
+     28      -0.3164      0.00000
+     29       3.5358      0.00000
+     30       4.0954      0.00000
+     31       5.2034      0.00000
+     32       5.8308      0.00000
+     33       6.0132      0.00000
+     34       6.8861      0.00000
+     35       7.1984      0.00000
+     36       7.3860      0.00000
+     37       8.7860      0.00000
+     38       9.2015      0.00000
+     39       9.7765      0.00000
+     40       9.8759      0.00000
+     41       9.9984      0.00000
+     42      10.1875      0.00000
+
+ k-point   3 :       0.3333    0.3333    0.0000
+  band No.  band energies     occupation 
+      1     -19.3607      1.00000
+      2     -19.3336      1.00000
+      3     -12.9734      1.00000
+      4     -12.5671      1.00000
+      5     -12.4867      1.00000
+      6     -12.3617      1.00000
+      7     -10.5304      1.00000
+      8      -5.4796      1.00000
+      9      -5.1873      1.00000
+     10      -4.5256      0.45631
+     11      -4.4473      0.00000
+     12      -4.3801      0.00000
+     13      -4.3390      0.00000
+     14      -3.0600      0.00000
+     15      -2.4673      0.00000
+     16      -2.4187      0.00000
+     17      -2.4133      0.00000
+     18      -2.3530      0.00000
+     19      -2.2395      0.00000
+     20      -1.6422      0.00000
+     21      -1.5681      0.00000
+     22      -1.3889      0.00000
+     23      -1.2210      0.00000
+     24      -0.4423      0.00000
+     25      -0.3905      0.00000
+     26      -0.3377      0.00000
+     27      -0.2723      0.00000
+     28      -0.0520      0.00000
+     29       4.3462      0.00000
+     30       4.7231      0.00000
+     31       5.7575      0.00000
+     32       6.4367      0.00000
+     33       6.4805      0.00000
+     34       6.5829      0.00000
+     35       7.0248      0.00000
+     36       7.4882      0.00000
+     37       7.8697      0.00000
+     38       7.9290      0.00000
+     39       8.0995      0.00000
+     40       8.7471      0.00000
+     41       9.2592      0.00000
+     42       9.7907      0.00000
+
+ k-point   4 :       0.0000    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -19.3764      1.00000
+      2     -19.3471      1.00000
+      3     -13.4865      1.00000
+      4     -12.6317      1.00000
+      5     -12.2446      1.00000
+      6     -12.1150      1.00000
+      7     -10.6525      1.00000
+      8      -5.4601      1.00000
+      9      -5.2214      1.00000
+     10      -4.2907     -0.02998
+     11      -4.2907      0.00000
+     12      -4.1922      0.00000
+     13      -4.1922      0.00000
+     14      -2.4867      0.00000
+     15      -2.4867      0.00000
+     16      -2.3456      0.00000
+     17      -2.0734      0.00000
+     18      -2.0734      0.00000
+     19      -1.9157      0.00000
+     20      -1.2782      0.00000
+     21      -1.2085      0.00000
+     22      -1.2085      0.00000
+     23      -0.9682      0.00000
+     24      -0.8650      0.00000
+     25      -0.8650      0.00000
+     26      -0.6123      0.00000
+     27      -0.1227      0.00000
+     28      -0.1227      0.00000
+     29       2.4653      0.00000
+     30       3.1147      0.00000
+     31       4.5033      0.00000
+     32       5.5446      0.00000
+     33       6.4597      0.00000
+     34       6.9285      0.00000
+     35       8.0819      0.00000
+     36       8.3605      0.00000
+     37       9.2183      0.00000
+     38       9.2794      0.00000
+     39       9.9632      0.00000
+     40       9.9632      0.00000
+     41      10.2064      0.00000
+     42      10.2064      0.00000
+
+ k-point   5 :       0.3333    0.0000    0.3333
+  band No.  band energies     occupation 
+      1     -19.3682      1.00000
+      2     -19.3404      1.00000
+      3     -13.2086      1.00000
+      4     -12.5987      1.00000
+      5     -12.4626      1.00000
+      6     -12.1909      1.00000
+      7     -10.5973      1.00000
+      8      -5.5051      1.00000
+      9      -5.2059      1.00000
+     10      -4.4324     -0.07914
+     11      -4.4035      0.00000
+     12      -4.2361      0.00000
+     13      -4.1744      0.00000
+     14      -2.5721      0.00000
+     15      -2.4727      0.00000
+     16      -2.3996      0.00000
+     17      -2.1366      0.00000
+     18      -2.0947      0.00000
+     19      -1.8097      0.00000
+     20      -1.6636      0.00000
+     21      -1.5969      0.00000
+     22      -1.1706      0.00000
+     23      -1.1307      0.00000
+     24      -1.0781      0.00000
+     25      -0.6579      0.00000
+     26      -0.3680      0.00000
+     27      -0.3188      0.00000
+     28      -0.3123      0.00000
+     29       3.5744      0.00000
+     30       4.0096      0.00000
+     31       5.3157      0.00000
+     32       5.8847      0.00000
+     33       5.9541      0.00000
+     34       6.5744      0.00000
+     35       7.4981      0.00000
+     36       7.5304      0.00000
+     37       8.4030      0.00000
+     38       9.4082      0.00000
+     39       9.7418      0.00000
+     40       9.8120      0.00000
+     41       9.8748      0.00000
+     42      10.2291      0.00000
+
+ k-point   6 :       0.3333    0.3333    0.3333
+  band No.  band energies     occupation 
+      1     -19.3606      1.00000
+      2     -19.3335      1.00000
+      3     -12.9733      1.00000
+      4     -12.5674      1.00000
+      5     -12.4867      1.00000
+      6     -12.3614      1.00000
+      7     -10.5304      1.00000
+      8      -5.4721      1.00000
+      9      -5.1974      1.00000
+     10      -4.5261      0.46004
+     11      -4.4472      0.00000
+     12      -4.3796      0.00000
+     13      -4.3382      0.00000
+     14      -3.0509      0.00000
+     15      -2.4756      0.00000
+     16      -2.4366      0.00000
+     17      -2.3901      0.00000
+     18      -2.3611      0.00000
+     19      -2.2303      0.00000
+     20      -1.6411      0.00000
+     21      -1.5691      0.00000
+     22      -1.3889      0.00000
+     23      -1.2331      0.00000
+     24      -0.4423      0.00000
+     25      -0.3808      0.00000
+     26      -0.3377      0.00000
+     27      -0.2738      0.00000
+     28      -0.0520      0.00000
+     29       4.3348      0.00000
+     30       4.7355      0.00000
+     31       5.7225      0.00000
+     32       6.4888      0.00000
+     33       6.5552      0.00000
+     34       6.5698      0.00000
+     35       7.0714      0.00000
+     36       7.3991      0.00000
+     37       7.7672      0.00000
+     38       7.9179      0.00000
+     39       8.0439      0.00000
+     40       8.8641      0.00000
+     41       9.0600      0.00000
+     42      10.0276      0.00000
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+ soft charge-density along one line, spin component           1
+         0         1         2         3         4         5         6         7         8         9
+ total charge-density along one line
+ 
+ soft charge-density along one line, spin component           2
+         0         1         2         3         4         5         6         7         8         9
+ total charge-density along one line
+ 
+ pseudopotential strength for first ion, spin component:           1
+ 10.491   0.029   0.000   0.000   0.000   0.000   0.000   0.000
+  0.029  -0.001   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000  -4.518   0.000   0.000  -0.027   0.000   0.000
+  0.000   0.000   0.000  -4.545   0.000   0.000  -0.031   0.000
+  0.000   0.000   0.000   0.000  -4.518   0.000   0.000  -0.027
+  0.000   0.000  -0.027   0.000   0.000  -0.774   0.000   0.000
+  0.000   0.000   0.000  -0.031   0.000   0.000  -0.775   0.000
+  0.000   0.000   0.000   0.000  -0.027   0.000   0.000  -0.774
+ pseudopotential strength for first ion, spin component:           2
+ 10.012   0.005   0.000   0.000   0.000   0.000   0.000   0.000
+  0.005  -0.002   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000  -4.487   0.000   0.000   0.068   0.000   0.000
+  0.000   0.000   0.000  -4.486   0.000   0.000   0.079   0.000
+  0.000   0.000   0.000   0.000  -4.487   0.000   0.000   0.068
+  0.000   0.000   0.068   0.000   0.000  -0.765   0.000   0.000
+  0.000   0.000   0.000   0.079   0.000   0.000  -0.766   0.000
+  0.000   0.000   0.000   0.000   0.068   0.000   0.000  -0.765
+ total augmentation occupancy for first ion, spin component:           1
+  2.015   0.104   0.000   0.000   0.000   0.000   0.000   0.000
+  0.104   0.015   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.560   0.000   0.000  -0.002   0.000   0.000
+  0.000   0.000   0.000   1.055   0.000   0.000  -0.011   0.000
+  0.000   0.000   0.000   0.000   0.560   0.000   0.000  -0.002
+  0.000   0.000  -0.002   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000   0.000  -0.002   0.000   0.000   0.000
+ total augmentation occupancy for first ion, spin component:           2
+  0.053  -0.112   0.000   0.000   0.000   0.000   0.000   0.000
+ -0.112  -0.010   0.000   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.552   0.000   0.000  -0.002   0.000   0.000
+  0.000   0.000   0.000   1.054   0.000   0.000  -0.011   0.000
+  0.000   0.000   0.000   0.000   0.552   0.000   0.000  -0.002
+  0.000   0.000  -0.002   0.000   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000  -0.011   0.000   0.000   0.000   0.000
+  0.000   0.000   0.000   0.000  -0.002   0.000   0.000   0.000
+
+
+------------------------ aborting loop because EDIFF is reached ----------------------------------------
+
+
+ 
+
+
+ total charge     
+ 
+# of ion     s       p       d       tot
+----------------------------------------
+  1        1.059   0.924   0.000   1.984
+  2        1.629   2.934   0.000   4.563
+  3        1.629   2.934   0.000   4.563
+  4        1.367   1.910   0.000   3.277
+  5        1.367   1.910   0.000   3.277
+  6        1.366   1.916   0.000   3.282
+  7        1.365   1.919   0.000   3.283
+------------------------------------------------
+tot        9.783  14.447   0.000  24.230
+ 
+
+
+ magnetization (x)
+ 
+# of ion     s       p       d       tot
+----------------------------------------
+  1        0.036   0.908   0.000   0.944
+  2        0.019   1.502   0.000   1.521
+  3        0.019   1.502   0.000   1.521
+  4        0.045   1.882   0.000   1.927
+  5        0.045   1.882   0.000   1.927
+  6        0.048   1.913   0.000   1.961
+  7        0.050   1.915   0.000   1.965
+------------------------------------------------
+tot        0.261  11.505   0.000  11.766
+ 
+    CHARGE:  cpu time    0.10: real time    0.10
+    FORLOC:  cpu time    0.01: real time    0.01
+    FORNL :  cpu time    0.44: real time    0.45
+    STRESS:  cpu time    0.55: real time    0.55
+    FORHAR:  cpu time    0.03: real time    0.03
+    MIXING:  cpu time    0.01: real time    0.01
+
+  FORCE on cell =-STRESS in cart. coord.  units (eV):
+  Direction    XX          YY          ZZ          XY          YZ          ZX
+  --------------------------------------------------------------------------------------
+  Alpha Z    22.02450    22.02450    22.02450
+  Ewald    -351.73557  -351.73557  -354.01084     0.00000     0.00000     0.00000
+  Hartree   274.97662   274.97662   274.18782     0.00000     0.00000     0.00000
+  E(xc)    -153.73061  -153.73061  -153.08130     0.00000     0.00000     0.00000
+  Local    -393.82259  -393.82259  -445.73816     0.00000     0.00000     0.00000
+  n-local   -58.79377   -57.21052   -74.23634     1.39246     0.04058     0.06643
+  augment    12.31192    12.31192    19.37583     0.00000     0.00000     0.00000
+  Kinetic   651.52976   645.35228   712.33599    -5.40353    -0.15346    -0.25650
+  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+  -------------------------------------------------------------------------------------
+  Total       0.46315     0.46315     0.85749     0.00000     0.00000     0.00000
+  in kB       2.97139     2.97139     5.50138     0.00000     0.00000     0.00000
+  external pressure =        3.81 kB  Pullay stress =        0.00 kB
+
+
+ VOLUME and BASIS-vectors are now :
+ -----------------------------------------------------------------------------
+  energy-cutoff  :      400.00
+  volume of cell :      249.73
+      direct lattice vectors                 reciprocal lattice vectors
+     4.339342523  0.000000000  0.000000000     0.230449658  0.000000000  0.000000000
+     0.000000000  4.339342523  0.000000000     0.000000000  0.230449658  0.000000000
+     0.000000000  0.000000000 13.262383183     0.000000000  0.000000000  0.075401230
+
+  length of vectors
+     4.339342523  4.339342523 13.262383183     0.230449658  0.230449658  0.075401230
+
+
+ FORCES acting on ions
+    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
+ -----------------------------------------------------------------------------------------------
+   -.459E-15 -.410E-15 -.130E-14   0.852E-15 0.828E-15 0.183E-13   0.241E-28 0.275E-28 0.000E+00   -.592E-14 -.196E-13 0.573E-13
+   0.180E-12 -.747E-12 -.297E+02   -.861E-15 -.669E-15 0.292E+02   -.200E-18 -.933E-19 0.676E+00   -.809E-13 -.245E-12 -.754E-01
+   0.182E-12 -.114E-11 0.297E+02   -.153E-14 -.106E-14 -.292E+02   0.200E-18 0.107E-18 -.676E+00   -.317E-13 0.208E-12 0.754E-01
+   0.683E-13 -.642E-12 0.669E+02   -.138E-14 0.147E-14 -.659E+02   0.209E-18 0.157E-18 -.121E+01   -.822E-14 -.217E-12 -.108E+00
+   0.699E-13 -.655E-12 -.669E+02   -.429E-15 0.485E-15 0.659E+02   -.209E-18 -.211E-18 0.121E+01   -.389E-13 0.128E-12 0.108E+00
+   0.752E-13 0.739E-15 -.166E-12   0.303E-14 -.210E-14 -.711E-14   0.715E-27 0.818E-27 0.000E+00   -.264E-13 0.566E-13 -.547E-13
+   0.472E-15 0.790E-13 0.234E-12   -.331E-14 -.272E-15 -.213E-13   0.288E-26 0.329E-26 0.000E+00   -.189E-13 -.443E-13 -.108E-12
+ -----------------------------------------------------------------------------------------------
+   0.575E-12 -.310E-11 0.323E-12   -.362E-14 -.132E-14 0.148E-20   0.314E-26 -.407E-19 0.000E+00   -.211E-12 -.133E-12 0.402E-12
+ 
+ 
+ POSITION                                       TOTAL-FORCE (eV/Angst)
+ -----------------------------------------------------------------------------------
+      0.00000      0.00000      0.00000         0.000000      0.000000      0.000000
+      2.16967      2.16967     11.43510         0.000000      0.000000      0.062491
+      2.16967      2.16967      1.82729         0.000000      0.000000     -0.062491
+      2.16967      2.16967      4.55159         0.000000      0.000000     -0.355225
+      2.16967      2.16967      8.71079         0.000000      0.000000      0.355225
+      2.16967      0.00000      6.63119         0.000000      0.000000      0.000000
+      0.00000      2.16967      6.63119         0.000000      0.000000      0.000000
+ -----------------------------------------------------------------------------------
+    total drift:                                0.000000      0.000000      0.000000
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
+  ---------------------------------------------------
+  free  energy   TOTEN  =       -17.647305 eV
+
+  energy  without entropy=      -17.647305  energy(sigma->0) =      -17.647305
+ 
+ d Force = 0.3246071E-03[ 0.491E-03, 0.158E-03]  d Energy =-0.3026786E-01 0.306E-01
+ d Force = 0.1670916E+00[ 0.167E+00, 0.168E+00]  d Ewald  = 0.2599119E+01-0.243E+01
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+    POTLOK:  cpu time    0.62: real time    0.62
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+
+
+--------------------------------------------------------------------------------------------------------
+
+
+     LOOP+:  cpu time   18.21: real time   19.07
+    4ORBIT:  cpu time    0.00: real time    0.00
+ 
+
+
+ total charge     
+ 
+# of ion     s       p       d       tot
+----------------------------------------
+  1        1.059   0.924   0.000   1.984
+  2        1.629   2.934   0.000   4.563
+  3        1.629   2.934   0.000   4.563
+  4        1.367   1.910   0.000   3.277
+  5        1.367   1.910   0.000   3.277
+  6        1.366   1.916   0.000   3.282
+  7        1.365   1.919   0.000   3.283
+------------------------------------------------
+tot        9.783  14.447   0.000  24.230
+ 
+
+
+ magnetization (x)
+ 
+# of ion     s       p       d       tot
+----------------------------------------
+  1        0.036   0.908   0.000   0.944
+  2        0.019   1.502   0.000   1.521
+  3        0.019   1.502   0.000   1.521
+  4        0.045   1.882   0.000   1.927
+  5        0.045   1.882   0.000   1.927
+  6        0.048   1.913   0.000   1.961
+  7        0.050   1.915   0.000   1.965
+------------------------------------------------
+tot        0.261  11.505   0.000  11.766
+ 
+ BZINTS: Fermi energy: -4.515122; 36.000000 electrons
+         Band energy:-360.166720;  BLOECHL correction: -0.024990
+
+ total amount of memory used by VASP on root node    42326. kBytes
+========================================================================
+
+   base      :      30000. kBytes
+   nonl-proj :        913. kBytes
+   fftplans  :       1518. kBytes
+   grid      :       3995. kBytes
+   one-center:          6. kBytes
+   wavefun   :       5894. kBytes
+ 
+  
+  
+ General timing and accounting informations for this job:
+ ========================================================
+  
+                  Total CPU time used (sec):      384.897
+                            User time (sec):      382.018
+                          System time (sec):        2.879
+                         Elapsed time (sec):      400.042
+  
+                   Maximum memory used (kb):       68056.
+                   Average memory used (kb):           0.
+  
+                          Minor page faults:         9592
+                          Major page faults:            0
+                 Voluntary context switches:         2378
diff --git a/POSCAR b/POSCAR
new file mode 100644
index 0000000000000000000000000000000000000000..c357991057240ff012e25c89ca1685fbadf3601d
--- /dev/null
+++ b/POSCAR
@@ -0,0 +1,23 @@
+Generated by cif2cell 1.0.12. Rb2MnCl4 :
+   5.11032200000000     
+     0.9322165652167527    0.0000000000000000    0.0000000000000000
+     0.0000000000000000    0.9322165652167527    0.0000000000000000
+     0.0000000000000000    0.0000000000000000    2.7397786517754481
+   C    O    N 
+     1     2     4
+Direct
+  0.0000000000000000  0.0000000000000000  0.0000000000000000
+  0.5000000000000000  0.5000000000000000  0.8565621172314014
+  0.5000000000000000  0.5000000000000000  0.1434378827685985
+  0.5000000000000000  0.5000000000000000  0.3440196263283136
+  0.5000000000000000  0.5000000000000000  0.6559803736716865
+  0.5000000000000000  0.0000000000000000  0.5000000000000000
+  0.0000000000000000  0.5000000000000000  0.5000000000000000
+ 
+  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00
diff --git a/matplotlib_example.ipynb b/matplotlib_example.ipynb
new file mode 100644
index 0000000000000000000000000000000000000000..26b21a86c43169e82d803e3a0d64a834a70c0b9c
--- /dev/null
+++ b/matplotlib_example.ipynb
@@ -0,0 +1,831 @@
+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "metadata": {
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "application/javascript": [
+       "/* Put everything inside the global mpl namespace */\n",
+       "window.mpl = {};\n",
+       "\n",
+       "\n",
+       "mpl.get_websocket_type = function() {\n",
+       "    if (typeof(WebSocket) !== 'undefined') {\n",
+       "        return WebSocket;\n",
+       "    } else if (typeof(MozWebSocket) !== 'undefined') {\n",
+       "        return MozWebSocket;\n",
+       "    } else {\n",
+       "        alert('Your browser does not have WebSocket support.' +\n",
+       "              'Please try Chrome, Safari or Firefox ≥ 6. ' +\n",
+       "              'Firefox 4 and 5 are also supported but you ' +\n",
+       "              'have to enable WebSockets in about:config.');\n",
+       "    };\n",
+       "}\n",
+       "\n",
+       "mpl.figure = function(figure_id, websocket, ondownload, parent_element) {\n",
+       "    this.id = figure_id;\n",
+       "\n",
+       "    this.ws = websocket;\n",
+       "\n",
+       "    this.supports_binary = (this.ws.binaryType != undefined);\n",
+       "\n",
+       "    if (!this.supports_binary) {\n",
+       "        var warnings = document.getElementById(\"mpl-warnings\");\n",
+       "        if (warnings) {\n",
+       "            warnings.style.display = 'block';\n",
+       "            warnings.textContent = (\n",
+       "                \"This browser does not support binary websocket messages. \" +\n",
+       "                    \"Performance may be slow.\");\n",
+       "        }\n",
+       "    }\n",
+       "\n",
+       "    this.imageObj = new Image();\n",
+       "\n",
+       "    this.context = undefined;\n",
+       "    this.message = undefined;\n",
+       "    this.canvas = undefined;\n",
+       "    this.rubberband_canvas = undefined;\n",
+       "    this.rubberband_context = undefined;\n",
+       "    this.format_dropdown = undefined;\n",
+       "\n",
+       "    this.image_mode = 'full';\n",
+       "\n",
+       "    this.root = $('<div/>');\n",
+       "    this._root_extra_style(this.root)\n",
+       "    this.root.attr('style', 'display: inline-block');\n",
+       "\n",
+       "    $(parent_element).append(this.root);\n",
+       "\n",
+       "    this._init_header(this);\n",
+       "    this._init_canvas(this);\n",
+       "    this._init_toolbar(this);\n",
+       "\n",
+       "    var fig = this;\n",
+       "\n",
+       "    this.waiting = false;\n",
+       "\n",
+       "    this.ws.onopen =  function () {\n",
+       "            fig.send_message(\"supports_binary\", {value: fig.supports_binary});\n",
+       "            fig.send_message(\"send_image_mode\", {});\n",
+       "            if (mpl.ratio != 1) {\n",
+       "                fig.send_message(\"set_dpi_ratio\", {'dpi_ratio': mpl.ratio});\n",
+       "            }\n",
+       "            fig.send_message(\"refresh\", {});\n",
+       "        }\n",
+       "\n",
+       "    this.imageObj.onload = function() {\n",
+       "            if (fig.image_mode == 'full') {\n",
+       "                // Full images could contain transparency (where diff images\n",
+       "                // almost always do), so we need to clear the canvas so that\n",
+       "                // there is no ghosting.\n",
+       "                fig.context.clearRect(0, 0, fig.canvas.width, fig.canvas.height);\n",
+       "            }\n",
+       "            fig.context.drawImage(fig.imageObj, 0, 0);\n",
+       "        };\n",
+       "\n",
+       "    this.imageObj.onunload = function() {\n",
+       "        this.ws.close();\n",
+       "    }\n",
+       "\n",
+       "    this.ws.onmessage = this._make_on_message_function(this);\n",
+       "\n",
+       "    this.ondownload = ondownload;\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype._init_header = function() {\n",
+       "    var titlebar = $(\n",
+       "        '<div class=\"ui-dialog-titlebar ui-widget-header ui-corner-all ' +\n",
+       "        'ui-helper-clearfix\"/>');\n",
+       "    var titletext = $(\n",
+       "        '<div class=\"ui-dialog-title\" style=\"width: 100%; ' +\n",
+       "        'text-align: center; padding: 3px;\"/>');\n",
+       "    titlebar.append(titletext)\n",
+       "    this.root.append(titlebar);\n",
+       "    this.header = titletext[0];\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "mpl.figure.prototype._canvas_extra_style = function(canvas_div) {\n",
+       "\n",
+       "}\n",
+       "\n",
+       "\n",
+       "mpl.figure.prototype._root_extra_style = function(canvas_div) {\n",
+       "\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype._init_canvas = function() {\n",
+       "    var fig = this;\n",
+       "\n",
+       "    var canvas_div = $('<div/>');\n",
+       "\n",
+       "    canvas_div.attr('style', 'position: relative; clear: both; outline: 0');\n",
+       "\n",
+       "    function canvas_keyboard_event(event) {\n",
+       "        return fig.key_event(event, event['data']);\n",
+       "    }\n",
+       "\n",
+       "    canvas_div.keydown('key_press', canvas_keyboard_event);\n",
+       "    canvas_div.keyup('key_release', canvas_keyboard_event);\n",
+       "    this.canvas_div = canvas_div\n",
+       "    this._canvas_extra_style(canvas_div)\n",
+       "    this.root.append(canvas_div);\n",
+       "\n",
+       "    var canvas = $('<canvas/>');\n",
+       "    canvas.addClass('mpl-canvas');\n",
+       "    canvas.attr('style', \"left: 0; top: 0; z-index: 0; outline: 0\")\n",
+       "\n",
+       "    this.canvas = canvas[0];\n",
+       "    this.context = canvas[0].getContext(\"2d\");\n",
+       "\n",
+       "    var backingStore = this.context.backingStorePixelRatio ||\n",
+       "\tthis.context.webkitBackingStorePixelRatio ||\n",
+       "\tthis.context.mozBackingStorePixelRatio ||\n",
+       "\tthis.context.msBackingStorePixelRatio ||\n",
+       "\tthis.context.oBackingStorePixelRatio ||\n",
+       "\tthis.context.backingStorePixelRatio || 1;\n",
+       "\n",
+       "    mpl.ratio = (window.devicePixelRatio || 1) / backingStore;\n",
+       "\n",
+       "    var rubberband = $('<canvas/>');\n",
+       "    rubberband.attr('style', \"position: absolute; left: 0; top: 0; z-index: 1;\")\n",
+       "\n",
+       "    var pass_mouse_events = true;\n",
+       "\n",
+       "    canvas_div.resizable({\n",
+       "        start: function(event, ui) {\n",
+       "            pass_mouse_events = false;\n",
+       "        },\n",
+       "        resize: function(event, ui) {\n",
+       "            fig.request_resize(ui.size.width, ui.size.height);\n",
+       "        },\n",
+       "        stop: function(event, ui) {\n",
+       "            pass_mouse_events = true;\n",
+       "            fig.request_resize(ui.size.width, ui.size.height);\n",
+       "        },\n",
+       "    });\n",
+       "\n",
+       "    function mouse_event_fn(event) {\n",
+       "        if (pass_mouse_events)\n",
+       "            return fig.mouse_event(event, event['data']);\n",
+       "    }\n",
+       "\n",
+       "    rubberband.mousedown('button_press', mouse_event_fn);\n",
+       "    rubberband.mouseup('button_release', mouse_event_fn);\n",
+       "    // Throttle sequential mouse events to 1 every 20ms.\n",
+       "    rubberband.mousemove('motion_notify', mouse_event_fn);\n",
+       "\n",
+       "    rubberband.mouseenter('figure_enter', mouse_event_fn);\n",
+       "    rubberband.mouseleave('figure_leave', mouse_event_fn);\n",
+       "\n",
+       "    canvas_div.on(\"wheel\", function (event) {\n",
+       "        event = event.originalEvent;\n",
+       "        event['data'] = 'scroll'\n",
+       "        if (event.deltaY < 0) {\n",
+       "            event.step = 1;\n",
+       "        } else {\n",
+       "            event.step = -1;\n",
+       "        }\n",
+       "        mouse_event_fn(event);\n",
+       "    });\n",
+       "\n",
+       "    canvas_div.append(canvas);\n",
+       "    canvas_div.append(rubberband);\n",
+       "\n",
+       "    this.rubberband = rubberband;\n",
+       "    this.rubberband_canvas = rubberband[0];\n",
+       "    this.rubberband_context = rubberband[0].getContext(\"2d\");\n",
+       "    this.rubberband_context.strokeStyle = \"#000000\";\n",
+       "\n",
+       "    this._resize_canvas = function(width, height) {\n",
+       "        // Keep the size of the canvas, canvas container, and rubber band\n",
+       "        // canvas in synch.\n",
+       "        canvas_div.css('width', width)\n",
+       "        canvas_div.css('height', height)\n",
+       "\n",
+       "        canvas.attr('width', width * mpl.ratio);\n",
+       "        canvas.attr('height', height * mpl.ratio);\n",
+       "        canvas.attr('style', 'width: ' + width + 'px; height: ' + height + 'px;');\n",
+       "\n",
+       "        rubberband.attr('width', width);\n",
+       "        rubberband.attr('height', height);\n",
+       "    }\n",
+       "\n",
+       "    // Set the figure to an initial 600x600px, this will subsequently be updated\n",
+       "    // upon first draw.\n",
+       "    this._resize_canvas(600, 600);\n",
+       "\n",
+       "    // Disable right mouse context menu.\n",
+       "    $(this.rubberband_canvas).bind(\"contextmenu\",function(e){\n",
+       "        return false;\n",
+       "    });\n",
+       "\n",
+       "    function set_focus () {\n",
+       "        canvas.focus();\n",
+       "        canvas_div.focus();\n",
+       "    }\n",
+       "\n",
+       "    window.setTimeout(set_focus, 100);\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype._init_toolbar = function() {\n",
+       "    var fig = this;\n",
+       "\n",
+       "    var nav_element = $('<div/>')\n",
+       "    nav_element.attr('style', 'width: 100%');\n",
+       "    this.root.append(nav_element);\n",
+       "\n",
+       "    // Define a callback function for later on.\n",
+       "    function toolbar_event(event) {\n",
+       "        return fig.toolbar_button_onclick(event['data']);\n",
+       "    }\n",
+       "    function toolbar_mouse_event(event) {\n",
+       "        return fig.toolbar_button_onmouseover(event['data']);\n",
+       "    }\n",
+       "\n",
+       "    for(var toolbar_ind in mpl.toolbar_items) {\n",
+       "        var name = mpl.toolbar_items[toolbar_ind][0];\n",
+       "        var tooltip = mpl.toolbar_items[toolbar_ind][1];\n",
+       "        var image = mpl.toolbar_items[toolbar_ind][2];\n",
+       "        var method_name = mpl.toolbar_items[toolbar_ind][3];\n",
+       "\n",
+       "        if (!name) {\n",
+       "            // put a spacer in here.\n",
+       "            continue;\n",
+       "        }\n",
+       "        var button = $('<button/>');\n",
+       "        button.addClass('ui-button ui-widget ui-state-default ui-corner-all ' +\n",
+       "                        'ui-button-icon-only');\n",
+       "        button.attr('role', 'button');\n",
+       "        button.attr('aria-disabled', 'false');\n",
+       "        button.click(method_name, toolbar_event);\n",
+       "        button.mouseover(tooltip, toolbar_mouse_event);\n",
+       "\n",
+       "        var icon_img = $('<span/>');\n",
+       "        icon_img.addClass('ui-button-icon-primary ui-icon');\n",
+       "        icon_img.addClass(image);\n",
+       "        icon_img.addClass('ui-corner-all');\n",
+       "\n",
+       "        var tooltip_span = $('<span/>');\n",
+       "        tooltip_span.addClass('ui-button-text');\n",
+       "        tooltip_span.html(tooltip);\n",
+       "\n",
+       "        button.append(icon_img);\n",
+       "        button.append(tooltip_span);\n",
+       "\n",
+       "        nav_element.append(button);\n",
+       "    }\n",
+       "\n",
+       "    var fmt_picker_span = $('<span/>');\n",
+       "\n",
+       "    var fmt_picker = $('<select/>');\n",
+       "    fmt_picker.addClass('mpl-toolbar-option ui-widget ui-widget-content');\n",
+       "    fmt_picker_span.append(fmt_picker);\n",
+       "    nav_element.append(fmt_picker_span);\n",
+       "    this.format_dropdown = fmt_picker[0];\n",
+       "\n",
+       "    for (var ind in mpl.extensions) {\n",
+       "        var fmt = mpl.extensions[ind];\n",
+       "        var option = $(\n",
+       "            '<option/>', {selected: fmt === mpl.default_extension}).html(fmt);\n",
+       "        fmt_picker.append(option)\n",
+       "    }\n",
+       "\n",
+       "    // Add hover states to the ui-buttons\n",
+       "    $( \".ui-button\" ).hover(\n",
+       "        function() { $(this).addClass(\"ui-state-hover\");},\n",
+       "        function() { $(this).removeClass(\"ui-state-hover\");}\n",
+       "    );\n",
+       "\n",
+       "    var status_bar = $('<span class=\"mpl-message\"/>');\n",
+       "    nav_element.append(status_bar);\n",
+       "    this.message = status_bar[0];\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.request_resize = function(x_pixels, y_pixels) {\n",
+       "    // Request matplotlib to resize the figure. Matplotlib will then trigger a resize in the client,\n",
+       "    // which will in turn request a refresh of the image.\n",
+       "    this.send_message('resize', {'width': x_pixels, 'height': y_pixels});\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.send_message = function(type, properties) {\n",
+       "    properties['type'] = type;\n",
+       "    properties['figure_id'] = this.id;\n",
+       "    this.ws.send(JSON.stringify(properties));\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.send_draw_message = function() {\n",
+       "    if (!this.waiting) {\n",
+       "        this.waiting = true;\n",
+       "        this.ws.send(JSON.stringify({type: \"draw\", figure_id: this.id}));\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "\n",
+       "mpl.figure.prototype.handle_save = function(fig, msg) {\n",
+       "    var format_dropdown = fig.format_dropdown;\n",
+       "    var format = format_dropdown.options[format_dropdown.selectedIndex].value;\n",
+       "    fig.ondownload(fig, format);\n",
+       "}\n",
+       "\n",
+       "\n",
+       "mpl.figure.prototype.handle_resize = function(fig, msg) {\n",
+       "    var size = msg['size'];\n",
+       "    if (size[0] != fig.canvas.width || size[1] != fig.canvas.height) {\n",
+       "        fig._resize_canvas(size[0], size[1]);\n",
+       "        fig.send_message(\"refresh\", {});\n",
+       "    };\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.handle_rubberband = function(fig, msg) {\n",
+       "    var x0 = msg['x0'] / mpl.ratio;\n",
+       "    var y0 = (fig.canvas.height - msg['y0']) / mpl.ratio;\n",
+       "    var x1 = msg['x1'] / mpl.ratio;\n",
+       "    var y1 = (fig.canvas.height - msg['y1']) / mpl.ratio;\n",
+       "    x0 = Math.floor(x0) + 0.5;\n",
+       "    y0 = Math.floor(y0) + 0.5;\n",
+       "    x1 = Math.floor(x1) + 0.5;\n",
+       "    y1 = Math.floor(y1) + 0.5;\n",
+       "    var min_x = Math.min(x0, x1);\n",
+       "    var min_y = Math.min(y0, y1);\n",
+       "    var width = Math.abs(x1 - x0);\n",
+       "    var height = Math.abs(y1 - y0);\n",
+       "\n",
+       "    fig.rubberband_context.clearRect(\n",
+       "        0, 0, fig.canvas.width, fig.canvas.height);\n",
+       "\n",
+       "    fig.rubberband_context.strokeRect(min_x, min_y, width, height);\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.handle_figure_label = function(fig, msg) {\n",
+       "    // Updates the figure title.\n",
+       "    fig.header.textContent = msg['label'];\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.handle_cursor = function(fig, msg) {\n",
+       "    var cursor = msg['cursor'];\n",
+       "    switch(cursor)\n",
+       "    {\n",
+       "    case 0:\n",
+       "        cursor = 'pointer';\n",
+       "        break;\n",
+       "    case 1:\n",
+       "        cursor = 'default';\n",
+       "        break;\n",
+       "    case 2:\n",
+       "        cursor = 'crosshair';\n",
+       "        break;\n",
+       "    case 3:\n",
+       "        cursor = 'move';\n",
+       "        break;\n",
+       "    }\n",
+       "    fig.rubberband_canvas.style.cursor = cursor;\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.handle_message = function(fig, msg) {\n",
+       "    fig.message.textContent = msg['message'];\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.handle_draw = function(fig, msg) {\n",
+       "    // Request the server to send over a new figure.\n",
+       "    fig.send_draw_message();\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.handle_image_mode = function(fig, msg) {\n",
+       "    fig.image_mode = msg['mode'];\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.updated_canvas_event = function() {\n",
+       "    // Called whenever the canvas gets updated.\n",
+       "    this.send_message(\"ack\", {});\n",
+       "}\n",
+       "\n",
+       "// A function to construct a web socket function for onmessage handling.\n",
+       "// Called in the figure constructor.\n",
+       "mpl.figure.prototype._make_on_message_function = function(fig) {\n",
+       "    return function socket_on_message(evt) {\n",
+       "        if (evt.data instanceof Blob) {\n",
+       "            /* FIXME: We get \"Resource interpreted as Image but\n",
+       "             * transferred with MIME type text/plain:\" errors on\n",
+       "             * Chrome.  But how to set the MIME type?  It doesn't seem\n",
+       "             * to be part of the websocket stream */\n",
+       "            evt.data.type = \"image/png\";\n",
+       "\n",
+       "            /* Free the memory for the previous frames */\n",
+       "            if (fig.imageObj.src) {\n",
+       "                (window.URL || window.webkitURL).revokeObjectURL(\n",
+       "                    fig.imageObj.src);\n",
+       "            }\n",
+       "\n",
+       "            fig.imageObj.src = (window.URL || window.webkitURL).createObjectURL(\n",
+       "                evt.data);\n",
+       "            fig.updated_canvas_event();\n",
+       "            fig.waiting = false;\n",
+       "            return;\n",
+       "        }\n",
+       "        else if (typeof evt.data === 'string' && evt.data.slice(0, 21) == \"data:image/png;base64\") {\n",
+       "            fig.imageObj.src = evt.data;\n",
+       "            fig.updated_canvas_event();\n",
+       "            fig.waiting = false;\n",
+       "            return;\n",
+       "        }\n",
+       "\n",
+       "        var msg = JSON.parse(evt.data);\n",
+       "        var msg_type = msg['type'];\n",
+       "\n",
+       "        // Call the  \"handle_{type}\" callback, which takes\n",
+       "        // the figure and JSON message as its only arguments.\n",
+       "        try {\n",
+       "            var callback = fig[\"handle_\" + msg_type];\n",
+       "        } catch (e) {\n",
+       "            console.log(\"No handler for the '\" + msg_type + \"' message type: \", msg);\n",
+       "            return;\n",
+       "        }\n",
+       "\n",
+       "        if (callback) {\n",
+       "            try {\n",
+       "                // console.log(\"Handling '\" + msg_type + \"' message: \", msg);\n",
+       "                callback(fig, msg);\n",
+       "            } catch (e) {\n",
+       "                console.log(\"Exception inside the 'handler_\" + msg_type + \"' callback:\", e, e.stack, msg);\n",
+       "            }\n",
+       "        }\n",
+       "    };\n",
+       "}\n",
+       "\n",
+       "// from http://stackoverflow.com/questions/1114465/getting-mouse-location-in-canvas\n",
+       "mpl.findpos = function(e) {\n",
+       "    //this section is from http://www.quirksmode.org/js/events_properties.html\n",
+       "    var targ;\n",
+       "    if (!e)\n",
+       "        e = window.event;\n",
+       "    if (e.target)\n",
+       "        targ = e.target;\n",
+       "    else if (e.srcElement)\n",
+       "        targ = e.srcElement;\n",
+       "    if (targ.nodeType == 3) // defeat Safari bug\n",
+       "        targ = targ.parentNode;\n",
+       "\n",
+       "    // jQuery normalizes the pageX and pageY\n",
+       "    // pageX,Y are the mouse positions relative to the document\n",
+       "    // offset() returns the position of the element relative to the document\n",
+       "    var x = e.pageX - $(targ).offset().left;\n",
+       "    var y = e.pageY - $(targ).offset().top;\n",
+       "\n",
+       "    return {\"x\": x, \"y\": y};\n",
+       "};\n",
+       "\n",
+       "/*\n",
+       " * return a copy of an object with only non-object keys\n",
+       " * we need this to avoid circular references\n",
+       " * http://stackoverflow.com/a/24161582/3208463\n",
+       " */\n",
+       "function simpleKeys (original) {\n",
+       "  return Object.keys(original).reduce(function (obj, key) {\n",
+       "    if (typeof original[key] !== 'object')\n",
+       "        obj[key] = original[key]\n",
+       "    return obj;\n",
+       "  }, {});\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.mouse_event = function(event, name) {\n",
+       "    var canvas_pos = mpl.findpos(event)\n",
+       "\n",
+       "    if (name === 'button_press')\n",
+       "    {\n",
+       "        this.canvas.focus();\n",
+       "        this.canvas_div.focus();\n",
+       "    }\n",
+       "\n",
+       "    var x = canvas_pos.x * mpl.ratio;\n",
+       "    var y = canvas_pos.y * mpl.ratio;\n",
+       "\n",
+       "    this.send_message(name, {x: x, y: y, button: event.button,\n",
+       "                             step: event.step,\n",
+       "                             guiEvent: simpleKeys(event)});\n",
+       "\n",
+       "    /* This prevents the web browser from automatically changing to\n",
+       "     * the text insertion cursor when the button is pressed.  We want\n",
+       "     * to control all of the cursor setting manually through the\n",
+       "     * 'cursor' event from matplotlib */\n",
+       "    event.preventDefault();\n",
+       "    return false;\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype._key_event_extra = function(event, name) {\n",
+       "    // Handle any extra behaviour associated with a key event\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.key_event = function(event, name) {\n",
+       "\n",
+       "    // Prevent repeat events\n",
+       "    if (name == 'key_press')\n",
+       "    {\n",
+       "        if (event.which === this._key)\n",
+       "            return;\n",
+       "        else\n",
+       "            this._key = event.which;\n",
+       "    }\n",
+       "    if (name == 'key_release')\n",
+       "        this._key = null;\n",
+       "\n",
+       "    var value = '';\n",
+       "    if (event.ctrlKey && event.which != 17)\n",
+       "        value += \"ctrl+\";\n",
+       "    if (event.altKey && event.which != 18)\n",
+       "        value += \"alt+\";\n",
+       "    if (event.shiftKey && event.which != 16)\n",
+       "        value += \"shift+\";\n",
+       "\n",
+       "    value += 'k';\n",
+       "    value += event.which.toString();\n",
+       "\n",
+       "    this._key_event_extra(event, name);\n",
+       "\n",
+       "    this.send_message(name, {key: value,\n",
+       "                             guiEvent: simpleKeys(event)});\n",
+       "    return false;\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.toolbar_button_onclick = function(name) {\n",
+       "    if (name == 'download') {\n",
+       "        this.handle_save(this, null);\n",
+       "    } else {\n",
+       "        this.send_message(\"toolbar_button\", {name: name});\n",
+       "    }\n",
+       "};\n",
+       "\n",
+       "mpl.figure.prototype.toolbar_button_onmouseover = function(tooltip) {\n",
+       "    this.message.textContent = tooltip;\n",
+       "};\n",
+       "mpl.toolbar_items = [[\"Home\", \"Reset original view\", \"fa fa-home icon-home\", \"home\"], [\"Back\", \"Back to  previous view\", \"fa fa-arrow-left icon-arrow-left\", \"back\"], [\"Forward\", \"Forward to next view\", \"fa fa-arrow-right icon-arrow-right\", \"forward\"], [\"\", \"\", \"\", \"\"], [\"Pan\", \"Pan axes with left mouse, zoom with right\", \"fa fa-arrows icon-move\", \"pan\"], [\"Zoom\", \"Zoom to rectangle\", \"fa fa-square-o icon-check-empty\", \"zoom\"], [\"\", \"\", \"\", \"\"], [\"Download\", \"Download plot\", \"fa fa-floppy-o icon-save\", \"download\"]];\n",
+       "\n",
+       "mpl.extensions = [\"eps\", \"jpeg\", \"pdf\", \"png\", \"ps\", \"raw\", \"svg\", \"tif\"];\n",
+       "\n",
+       "mpl.default_extension = \"png\";var comm_websocket_adapter = function(comm) {\n",
+       "    // Create a \"websocket\"-like object which calls the given IPython comm\n",
+       "    // object with the appropriate methods. Currently this is a non binary\n",
+       "    // socket, so there is still some room for performance tuning.\n",
+       "    var ws = {};\n",
+       "\n",
+       "    ws.close = function() {\n",
+       "        comm.close()\n",
+       "    };\n",
+       "    ws.send = function(m) {\n",
+       "        //console.log('sending', m);\n",
+       "        comm.send(m);\n",
+       "    };\n",
+       "    // Register the callback with on_msg.\n",
+       "    comm.on_msg(function(msg) {\n",
+       "        //console.log('receiving', msg['content']['data'], msg);\n",
+       "        // Pass the mpl event to the overriden (by mpl) onmessage function.\n",
+       "        ws.onmessage(msg['content']['data'])\n",
+       "    });\n",
+       "    return ws;\n",
+       "}\n",
+       "\n",
+       "mpl.mpl_figure_comm = function(comm, msg) {\n",
+       "    // This is the function which gets called when the mpl process\n",
+       "    // starts-up an IPython Comm through the \"matplotlib\" channel.\n",
+       "\n",
+       "    var id = msg.content.data.id;\n",
+       "    // Get hold of the div created by the display call when the Comm\n",
+       "    // socket was opened in Python.\n",
+       "    var element = $(\"#\" + id);\n",
+       "    var ws_proxy = comm_websocket_adapter(comm)\n",
+       "\n",
+       "    function ondownload(figure, format) {\n",
+       "        window.open(figure.imageObj.src);\n",
+       "    }\n",
+       "\n",
+       "    var fig = new mpl.figure(id, ws_proxy,\n",
+       "                           ondownload,\n",
+       "                           element.get(0));\n",
+       "\n",
+       "    // Call onopen now - mpl needs it, as it is assuming we've passed it a real\n",
+       "    // web socket which is closed, not our websocket->open comm proxy.\n",
+       "    ws_proxy.onopen();\n",
+       "\n",
+       "    fig.parent_element = element.get(0);\n",
+       "    fig.cell_info = mpl.find_output_cell(\"<div id='\" + id + \"'></div>\");\n",
+       "    if (!fig.cell_info) {\n",
+       "        console.error(\"Failed to find cell for figure\", id, fig);\n",
+       "        return;\n",
+       "    }\n",
+       "\n",
+       "    var output_index = fig.cell_info[2]\n",
+       "    var cell = fig.cell_info[0];\n",
+       "\n",
+       "};\n",
+       "\n",
+       "mpl.figure.prototype.handle_close = function(fig, msg) {\n",
+       "    var width = fig.canvas.width/mpl.ratio\n",
+       "    fig.root.unbind('remove')\n",
+       "\n",
+       "    // Update the output cell to use the data from the current canvas.\n",
+       "    fig.push_to_output();\n",
+       "    var dataURL = fig.canvas.toDataURL();\n",
+       "    // Re-enable the keyboard manager in IPython - without this line, in FF,\n",
+       "    // the notebook keyboard shortcuts fail.\n",
+       "    IPython.keyboard_manager.enable()\n",
+       "    $(fig.parent_element).html('<img src=\"' + dataURL + '\" width=\"' + width + '\">');\n",
+       "    fig.close_ws(fig, msg);\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.close_ws = function(fig, msg){\n",
+       "    fig.send_message('closing', msg);\n",
+       "    // fig.ws.close()\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.push_to_output = function(remove_interactive) {\n",
+       "    // Turn the data on the canvas into data in the output cell.\n",
+       "    var width = this.canvas.width/mpl.ratio\n",
+       "    var dataURL = this.canvas.toDataURL();\n",
+       "    this.cell_info[1]['text/html'] = '<img src=\"' + dataURL + '\" width=\"' + width + '\">';\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.updated_canvas_event = function() {\n",
+       "    // Tell IPython that the notebook contents must change.\n",
+       "    IPython.notebook.set_dirty(true);\n",
+       "    this.send_message(\"ack\", {});\n",
+       "    var fig = this;\n",
+       "    // Wait a second, then push the new image to the DOM so\n",
+       "    // that it is saved nicely (might be nice to debounce this).\n",
+       "    setTimeout(function () { fig.push_to_output() }, 1000);\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype._init_toolbar = function() {\n",
+       "    var fig = this;\n",
+       "\n",
+       "    var nav_element = $('<div/>')\n",
+       "    nav_element.attr('style', 'width: 100%');\n",
+       "    this.root.append(nav_element);\n",
+       "\n",
+       "    // Define a callback function for later on.\n",
+       "    function toolbar_event(event) {\n",
+       "        return fig.toolbar_button_onclick(event['data']);\n",
+       "    }\n",
+       "    function toolbar_mouse_event(event) {\n",
+       "        return fig.toolbar_button_onmouseover(event['data']);\n",
+       "    }\n",
+       "\n",
+       "    for(var toolbar_ind in mpl.toolbar_items){\n",
+       "        var name = mpl.toolbar_items[toolbar_ind][0];\n",
+       "        var tooltip = mpl.toolbar_items[toolbar_ind][1];\n",
+       "        var image = mpl.toolbar_items[toolbar_ind][2];\n",
+       "        var method_name = mpl.toolbar_items[toolbar_ind][3];\n",
+       "\n",
+       "        if (!name) { continue; };\n",
+       "\n",
+       "        var button = $('<button class=\"btn btn-default\" href=\"#\" title=\"' + name + '\"><i class=\"fa ' + image + ' fa-lg\"></i></button>');\n",
+       "        button.click(method_name, toolbar_event);\n",
+       "        button.mouseover(tooltip, toolbar_mouse_event);\n",
+       "        nav_element.append(button);\n",
+       "    }\n",
+       "\n",
+       "    // Add the status bar.\n",
+       "    var status_bar = $('<span class=\"mpl-message\" style=\"text-align:right; float: right;\"/>');\n",
+       "    nav_element.append(status_bar);\n",
+       "    this.message = status_bar[0];\n",
+       "\n",
+       "    // Add the close button to the window.\n",
+       "    var buttongrp = $('<div class=\"btn-group inline pull-right\"></div>');\n",
+       "    var button = $('<button class=\"btn btn-mini btn-primary\" href=\"#\" title=\"Stop Interaction\"><i class=\"fa fa-power-off icon-remove icon-large\"></i></button>');\n",
+       "    button.click(function (evt) { fig.handle_close(fig, {}); } );\n",
+       "    button.mouseover('Stop Interaction', toolbar_mouse_event);\n",
+       "    buttongrp.append(button);\n",
+       "    var titlebar = this.root.find($('.ui-dialog-titlebar'));\n",
+       "    titlebar.prepend(buttongrp);\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype._root_extra_style = function(el){\n",
+       "    var fig = this\n",
+       "    el.on(\"remove\", function(){\n",
+       "\tfig.close_ws(fig, {});\n",
+       "    });\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype._canvas_extra_style = function(el){\n",
+       "    // this is important to make the div 'focusable\n",
+       "    el.attr('tabindex', 0)\n",
+       "    // reach out to IPython and tell the keyboard manager to turn it's self\n",
+       "    // off when our div gets focus\n",
+       "\n",
+       "    // location in version 3\n",
+       "    if (IPython.notebook.keyboard_manager) {\n",
+       "        IPython.notebook.keyboard_manager.register_events(el);\n",
+       "    }\n",
+       "    else {\n",
+       "        // location in version 2\n",
+       "        IPython.keyboard_manager.register_events(el);\n",
+       "    }\n",
+       "\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype._key_event_extra = function(event, name) {\n",
+       "    var manager = IPython.notebook.keyboard_manager;\n",
+       "    if (!manager)\n",
+       "        manager = IPython.keyboard_manager;\n",
+       "\n",
+       "    // Check for shift+enter\n",
+       "    if (event.shiftKey && event.which == 13) {\n",
+       "        this.canvas_div.blur();\n",
+       "        // select the cell after this one\n",
+       "        var index = IPython.notebook.find_cell_index(this.cell_info[0]);\n",
+       "        IPython.notebook.select(index + 1);\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.handle_save = function(fig, msg) {\n",
+       "    fig.ondownload(fig, null);\n",
+       "}\n",
+       "\n",
+       "\n",
+       "mpl.find_output_cell = function(html_output) {\n",
+       "    // Return the cell and output element which can be found *uniquely* in the notebook.\n",
+       "    // Note - this is a bit hacky, but it is done because the \"notebook_saving.Notebook\"\n",
+       "    // IPython event is triggered only after the cells have been serialised, which for\n",
+       "    // our purposes (turning an active figure into a static one), is too late.\n",
+       "    var cells = IPython.notebook.get_cells();\n",
+       "    var ncells = cells.length;\n",
+       "    for (var i=0; i<ncells; i++) {\n",
+       "        var cell = cells[i];\n",
+       "        if (cell.cell_type === 'code'){\n",
+       "            for (var j=0; j<cell.output_area.outputs.length; j++) {\n",
+       "                var data = cell.output_area.outputs[j];\n",
+       "                if (data.data) {\n",
+       "                    // IPython >= 3 moved mimebundle to data attribute of output\n",
+       "                    data = data.data;\n",
+       "                }\n",
+       "                if (data['text/html'] == html_output) {\n",
+       "                    return [cell, data, j];\n",
+       "                }\n",
+       "            }\n",
+       "        }\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "// Register the function which deals with the matplotlib target/channel.\n",
+       "// The kernel may be null if the page has been refreshed.\n",
+       "if (IPython.notebook.kernel != null) {\n",
+       "    IPython.notebook.kernel.comm_manager.register_target('matplotlib', mpl.mpl_figure_comm);\n",
+       "}\n"
+      ],
+      "text/plain": [
+       "<IPython.core.display.Javascript object>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/html": [
+       "<img 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\" width=\"640\">"
+      ],
+      "text/plain": [
+       "<IPython.core.display.HTML object>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "%matplotlib notebook\n",
+    "from pylab import *\n",
+    "\n",
+    "x=[[1,2,3,4],[5,6,7,8]]\n",
+    "plot(x[0],x[1])\n",
+    "show()"
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.4.3"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}
diff --git a/numpy_example.ipynb b/numpy_example.ipynb
new file mode 100644
index 0000000000000000000000000000000000000000..ac0d8c3a350947dd68adafe04bb1e6926cd7d3f6
--- /dev/null
+++ b/numpy_example.ipynb
@@ -0,0 +1,196 @@
+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "metadata": {
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array([[ 1.5,  2. ,  3. ],\n",
+       "       [ 4. ,  5. ,  6. ]])"
+      ]
+     },
+     "execution_count": 3,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "import numpy as np\n",
+    "b = np.array ([(1.5 ,2 ,3) , (4 ,5 ,6)])\n",
+    "b"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 4,
+   "metadata": {
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "(2, 3)"
+      ]
+     },
+     "execution_count": 4,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "b.shape"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "metadata": {
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array([[ 0.,  0.,  0.],\n",
+       "       [ 0.,  0.,  0.]])"
+      ]
+     },
+     "execution_count": 5,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "b - b"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "metadata": {
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array([[  9.75,  14.  ,  24.  ],\n",
+       "       [ 36.  ,  50.  ,  66.  ]])"
+      ]
+     },
+     "execution_count": 6,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "b*(b+5)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "metadata": {
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array([[ 0.99749499,  0.90929743,  0.14112001],\n",
+       "       [-0.7568025 , -0.95892427, -0.2794155 ]])"
+      ]
+     },
+     "execution_count": 7,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "np.sin(b)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 9,
+   "metadata": {
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array([[ 1.5,  2. ],\n",
+       "       [ 4. ,  5. ]])"
+      ]
+     },
+     "execution_count": 9,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    ">>> b[:2 ,:2]"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 11,
+   "metadata": {
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array([[-10.,   4.],\n",
+       "       [  8.,  -3.]])"
+      ]
+     },
+     "execution_count": 11,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "np.linalg.inv(b[:2, :2])"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {
+    "collapsed": true
+   },
+   "outputs": [],
+   "source": []
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.4.3"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}
diff --git a/scipy_example.ipynb b/scipy_example.ipynb
new file mode 100644
index 0000000000000000000000000000000000000000..8f33f41b528d1ed22c79948b4e58efb90e97dbb1
--- /dev/null
+++ b/scipy_example.ipynb
@@ -0,0 +1,853 @@
+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "metadata": {
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "application/javascript": [
+       "/* Put everything inside the global mpl namespace */\n",
+       "window.mpl = {};\n",
+       "\n",
+       "\n",
+       "mpl.get_websocket_type = function() {\n",
+       "    if (typeof(WebSocket) !== 'undefined') {\n",
+       "        return WebSocket;\n",
+       "    } else if (typeof(MozWebSocket) !== 'undefined') {\n",
+       "        return MozWebSocket;\n",
+       "    } else {\n",
+       "        alert('Your browser does not have WebSocket support.' +\n",
+       "              'Please try Chrome, Safari or Firefox ≥ 6. ' +\n",
+       "              'Firefox 4 and 5 are also supported but you ' +\n",
+       "              'have to enable WebSockets in about:config.');\n",
+       "    };\n",
+       "}\n",
+       "\n",
+       "mpl.figure = function(figure_id, websocket, ondownload, parent_element) {\n",
+       "    this.id = figure_id;\n",
+       "\n",
+       "    this.ws = websocket;\n",
+       "\n",
+       "    this.supports_binary = (this.ws.binaryType != undefined);\n",
+       "\n",
+       "    if (!this.supports_binary) {\n",
+       "        var warnings = document.getElementById(\"mpl-warnings\");\n",
+       "        if (warnings) {\n",
+       "            warnings.style.display = 'block';\n",
+       "            warnings.textContent = (\n",
+       "                \"This browser does not support binary websocket messages. \" +\n",
+       "                    \"Performance may be slow.\");\n",
+       "        }\n",
+       "    }\n",
+       "\n",
+       "    this.imageObj = new Image();\n",
+       "\n",
+       "    this.context = undefined;\n",
+       "    this.message = undefined;\n",
+       "    this.canvas = undefined;\n",
+       "    this.rubberband_canvas = undefined;\n",
+       "    this.rubberband_context = undefined;\n",
+       "    this.format_dropdown = undefined;\n",
+       "\n",
+       "    this.image_mode = 'full';\n",
+       "\n",
+       "    this.root = $('<div/>');\n",
+       "    this._root_extra_style(this.root)\n",
+       "    this.root.attr('style', 'display: inline-block');\n",
+       "\n",
+       "    $(parent_element).append(this.root);\n",
+       "\n",
+       "    this._init_header(this);\n",
+       "    this._init_canvas(this);\n",
+       "    this._init_toolbar(this);\n",
+       "\n",
+       "    var fig = this;\n",
+       "\n",
+       "    this.waiting = false;\n",
+       "\n",
+       "    this.ws.onopen =  function () {\n",
+       "            fig.send_message(\"supports_binary\", {value: fig.supports_binary});\n",
+       "            fig.send_message(\"send_image_mode\", {});\n",
+       "            if (mpl.ratio != 1) {\n",
+       "                fig.send_message(\"set_dpi_ratio\", {'dpi_ratio': mpl.ratio});\n",
+       "            }\n",
+       "            fig.send_message(\"refresh\", {});\n",
+       "        }\n",
+       "\n",
+       "    this.imageObj.onload = function() {\n",
+       "            if (fig.image_mode == 'full') {\n",
+       "                // Full images could contain transparency (where diff images\n",
+       "                // almost always do), so we need to clear the canvas so that\n",
+       "                // there is no ghosting.\n",
+       "                fig.context.clearRect(0, 0, fig.canvas.width, fig.canvas.height);\n",
+       "            }\n",
+       "            fig.context.drawImage(fig.imageObj, 0, 0);\n",
+       "        };\n",
+       "\n",
+       "    this.imageObj.onunload = function() {\n",
+       "        this.ws.close();\n",
+       "    }\n",
+       "\n",
+       "    this.ws.onmessage = this._make_on_message_function(this);\n",
+       "\n",
+       "    this.ondownload = ondownload;\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype._init_header = function() {\n",
+       "    var titlebar = $(\n",
+       "        '<div class=\"ui-dialog-titlebar ui-widget-header ui-corner-all ' +\n",
+       "        'ui-helper-clearfix\"/>');\n",
+       "    var titletext = $(\n",
+       "        '<div class=\"ui-dialog-title\" style=\"width: 100%; ' +\n",
+       "        'text-align: center; padding: 3px;\"/>');\n",
+       "    titlebar.append(titletext)\n",
+       "    this.root.append(titlebar);\n",
+       "    this.header = titletext[0];\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "mpl.figure.prototype._canvas_extra_style = function(canvas_div) {\n",
+       "\n",
+       "}\n",
+       "\n",
+       "\n",
+       "mpl.figure.prototype._root_extra_style = function(canvas_div) {\n",
+       "\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype._init_canvas = function() {\n",
+       "    var fig = this;\n",
+       "\n",
+       "    var canvas_div = $('<div/>');\n",
+       "\n",
+       "    canvas_div.attr('style', 'position: relative; clear: both; outline: 0');\n",
+       "\n",
+       "    function canvas_keyboard_event(event) {\n",
+       "        return fig.key_event(event, event['data']);\n",
+       "    }\n",
+       "\n",
+       "    canvas_div.keydown('key_press', canvas_keyboard_event);\n",
+       "    canvas_div.keyup('key_release', canvas_keyboard_event);\n",
+       "    this.canvas_div = canvas_div\n",
+       "    this._canvas_extra_style(canvas_div)\n",
+       "    this.root.append(canvas_div);\n",
+       "\n",
+       "    var canvas = $('<canvas/>');\n",
+       "    canvas.addClass('mpl-canvas');\n",
+       "    canvas.attr('style', \"left: 0; top: 0; z-index: 0; outline: 0\")\n",
+       "\n",
+       "    this.canvas = canvas[0];\n",
+       "    this.context = canvas[0].getContext(\"2d\");\n",
+       "\n",
+       "    var backingStore = this.context.backingStorePixelRatio ||\n",
+       "\tthis.context.webkitBackingStorePixelRatio ||\n",
+       "\tthis.context.mozBackingStorePixelRatio ||\n",
+       "\tthis.context.msBackingStorePixelRatio ||\n",
+       "\tthis.context.oBackingStorePixelRatio ||\n",
+       "\tthis.context.backingStorePixelRatio || 1;\n",
+       "\n",
+       "    mpl.ratio = (window.devicePixelRatio || 1) / backingStore;\n",
+       "\n",
+       "    var rubberband = $('<canvas/>');\n",
+       "    rubberband.attr('style', \"position: absolute; left: 0; top: 0; z-index: 1;\")\n",
+       "\n",
+       "    var pass_mouse_events = true;\n",
+       "\n",
+       "    canvas_div.resizable({\n",
+       "        start: function(event, ui) {\n",
+       "            pass_mouse_events = false;\n",
+       "        },\n",
+       "        resize: function(event, ui) {\n",
+       "            fig.request_resize(ui.size.width, ui.size.height);\n",
+       "        },\n",
+       "        stop: function(event, ui) {\n",
+       "            pass_mouse_events = true;\n",
+       "            fig.request_resize(ui.size.width, ui.size.height);\n",
+       "        },\n",
+       "    });\n",
+       "\n",
+       "    function mouse_event_fn(event) {\n",
+       "        if (pass_mouse_events)\n",
+       "            return fig.mouse_event(event, event['data']);\n",
+       "    }\n",
+       "\n",
+       "    rubberband.mousedown('button_press', mouse_event_fn);\n",
+       "    rubberband.mouseup('button_release', mouse_event_fn);\n",
+       "    // Throttle sequential mouse events to 1 every 20ms.\n",
+       "    rubberband.mousemove('motion_notify', mouse_event_fn);\n",
+       "\n",
+       "    rubberband.mouseenter('figure_enter', mouse_event_fn);\n",
+       "    rubberband.mouseleave('figure_leave', mouse_event_fn);\n",
+       "\n",
+       "    canvas_div.on(\"wheel\", function (event) {\n",
+       "        event = event.originalEvent;\n",
+       "        event['data'] = 'scroll'\n",
+       "        if (event.deltaY < 0) {\n",
+       "            event.step = 1;\n",
+       "        } else {\n",
+       "            event.step = -1;\n",
+       "        }\n",
+       "        mouse_event_fn(event);\n",
+       "    });\n",
+       "\n",
+       "    canvas_div.append(canvas);\n",
+       "    canvas_div.append(rubberband);\n",
+       "\n",
+       "    this.rubberband = rubberband;\n",
+       "    this.rubberband_canvas = rubberband[0];\n",
+       "    this.rubberband_context = rubberband[0].getContext(\"2d\");\n",
+       "    this.rubberband_context.strokeStyle = \"#000000\";\n",
+       "\n",
+       "    this._resize_canvas = function(width, height) {\n",
+       "        // Keep the size of the canvas, canvas container, and rubber band\n",
+       "        // canvas in synch.\n",
+       "        canvas_div.css('width', width)\n",
+       "        canvas_div.css('height', height)\n",
+       "\n",
+       "        canvas.attr('width', width * mpl.ratio);\n",
+       "        canvas.attr('height', height * mpl.ratio);\n",
+       "        canvas.attr('style', 'width: ' + width + 'px; height: ' + height + 'px;');\n",
+       "\n",
+       "        rubberband.attr('width', width);\n",
+       "        rubberband.attr('height', height);\n",
+       "    }\n",
+       "\n",
+       "    // Set the figure to an initial 600x600px, this will subsequently be updated\n",
+       "    // upon first draw.\n",
+       "    this._resize_canvas(600, 600);\n",
+       "\n",
+       "    // Disable right mouse context menu.\n",
+       "    $(this.rubberband_canvas).bind(\"contextmenu\",function(e){\n",
+       "        return false;\n",
+       "    });\n",
+       "\n",
+       "    function set_focus () {\n",
+       "        canvas.focus();\n",
+       "        canvas_div.focus();\n",
+       "    }\n",
+       "\n",
+       "    window.setTimeout(set_focus, 100);\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype._init_toolbar = function() {\n",
+       "    var fig = this;\n",
+       "\n",
+       "    var nav_element = $('<div/>')\n",
+       "    nav_element.attr('style', 'width: 100%');\n",
+       "    this.root.append(nav_element);\n",
+       "\n",
+       "    // Define a callback function for later on.\n",
+       "    function toolbar_event(event) {\n",
+       "        return fig.toolbar_button_onclick(event['data']);\n",
+       "    }\n",
+       "    function toolbar_mouse_event(event) {\n",
+       "        return fig.toolbar_button_onmouseover(event['data']);\n",
+       "    }\n",
+       "\n",
+       "    for(var toolbar_ind in mpl.toolbar_items) {\n",
+       "        var name = mpl.toolbar_items[toolbar_ind][0];\n",
+       "        var tooltip = mpl.toolbar_items[toolbar_ind][1];\n",
+       "        var image = mpl.toolbar_items[toolbar_ind][2];\n",
+       "        var method_name = mpl.toolbar_items[toolbar_ind][3];\n",
+       "\n",
+       "        if (!name) {\n",
+       "            // put a spacer in here.\n",
+       "            continue;\n",
+       "        }\n",
+       "        var button = $('<button/>');\n",
+       "        button.addClass('ui-button ui-widget ui-state-default ui-corner-all ' +\n",
+       "                        'ui-button-icon-only');\n",
+       "        button.attr('role', 'button');\n",
+       "        button.attr('aria-disabled', 'false');\n",
+       "        button.click(method_name, toolbar_event);\n",
+       "        button.mouseover(tooltip, toolbar_mouse_event);\n",
+       "\n",
+       "        var icon_img = $('<span/>');\n",
+       "        icon_img.addClass('ui-button-icon-primary ui-icon');\n",
+       "        icon_img.addClass(image);\n",
+       "        icon_img.addClass('ui-corner-all');\n",
+       "\n",
+       "        var tooltip_span = $('<span/>');\n",
+       "        tooltip_span.addClass('ui-button-text');\n",
+       "        tooltip_span.html(tooltip);\n",
+       "\n",
+       "        button.append(icon_img);\n",
+       "        button.append(tooltip_span);\n",
+       "\n",
+       "        nav_element.append(button);\n",
+       "    }\n",
+       "\n",
+       "    var fmt_picker_span = $('<span/>');\n",
+       "\n",
+       "    var fmt_picker = $('<select/>');\n",
+       "    fmt_picker.addClass('mpl-toolbar-option ui-widget ui-widget-content');\n",
+       "    fmt_picker_span.append(fmt_picker);\n",
+       "    nav_element.append(fmt_picker_span);\n",
+       "    this.format_dropdown = fmt_picker[0];\n",
+       "\n",
+       "    for (var ind in mpl.extensions) {\n",
+       "        var fmt = mpl.extensions[ind];\n",
+       "        var option = $(\n",
+       "            '<option/>', {selected: fmt === mpl.default_extension}).html(fmt);\n",
+       "        fmt_picker.append(option)\n",
+       "    }\n",
+       "\n",
+       "    // Add hover states to the ui-buttons\n",
+       "    $( \".ui-button\" ).hover(\n",
+       "        function() { $(this).addClass(\"ui-state-hover\");},\n",
+       "        function() { $(this).removeClass(\"ui-state-hover\");}\n",
+       "    );\n",
+       "\n",
+       "    var status_bar = $('<span class=\"mpl-message\"/>');\n",
+       "    nav_element.append(status_bar);\n",
+       "    this.message = status_bar[0];\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.request_resize = function(x_pixels, y_pixels) {\n",
+       "    // Request matplotlib to resize the figure. Matplotlib will then trigger a resize in the client,\n",
+       "    // which will in turn request a refresh of the image.\n",
+       "    this.send_message('resize', {'width': x_pixels, 'height': y_pixels});\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.send_message = function(type, properties) {\n",
+       "    properties['type'] = type;\n",
+       "    properties['figure_id'] = this.id;\n",
+       "    this.ws.send(JSON.stringify(properties));\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.send_draw_message = function() {\n",
+       "    if (!this.waiting) {\n",
+       "        this.waiting = true;\n",
+       "        this.ws.send(JSON.stringify({type: \"draw\", figure_id: this.id}));\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "\n",
+       "mpl.figure.prototype.handle_save = function(fig, msg) {\n",
+       "    var format_dropdown = fig.format_dropdown;\n",
+       "    var format = format_dropdown.options[format_dropdown.selectedIndex].value;\n",
+       "    fig.ondownload(fig, format);\n",
+       "}\n",
+       "\n",
+       "\n",
+       "mpl.figure.prototype.handle_resize = function(fig, msg) {\n",
+       "    var size = msg['size'];\n",
+       "    if (size[0] != fig.canvas.width || size[1] != fig.canvas.height) {\n",
+       "        fig._resize_canvas(size[0], size[1]);\n",
+       "        fig.send_message(\"refresh\", {});\n",
+       "    };\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.handle_rubberband = function(fig, msg) {\n",
+       "    var x0 = msg['x0'] / mpl.ratio;\n",
+       "    var y0 = (fig.canvas.height - msg['y0']) / mpl.ratio;\n",
+       "    var x1 = msg['x1'] / mpl.ratio;\n",
+       "    var y1 = (fig.canvas.height - msg['y1']) / mpl.ratio;\n",
+       "    x0 = Math.floor(x0) + 0.5;\n",
+       "    y0 = Math.floor(y0) + 0.5;\n",
+       "    x1 = Math.floor(x1) + 0.5;\n",
+       "    y1 = Math.floor(y1) + 0.5;\n",
+       "    var min_x = Math.min(x0, x1);\n",
+       "    var min_y = Math.min(y0, y1);\n",
+       "    var width = Math.abs(x1 - x0);\n",
+       "    var height = Math.abs(y1 - y0);\n",
+       "\n",
+       "    fig.rubberband_context.clearRect(\n",
+       "        0, 0, fig.canvas.width, fig.canvas.height);\n",
+       "\n",
+       "    fig.rubberband_context.strokeRect(min_x, min_y, width, height);\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.handle_figure_label = function(fig, msg) {\n",
+       "    // Updates the figure title.\n",
+       "    fig.header.textContent = msg['label'];\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.handle_cursor = function(fig, msg) {\n",
+       "    var cursor = msg['cursor'];\n",
+       "    switch(cursor)\n",
+       "    {\n",
+       "    case 0:\n",
+       "        cursor = 'pointer';\n",
+       "        break;\n",
+       "    case 1:\n",
+       "        cursor = 'default';\n",
+       "        break;\n",
+       "    case 2:\n",
+       "        cursor = 'crosshair';\n",
+       "        break;\n",
+       "    case 3:\n",
+       "        cursor = 'move';\n",
+       "        break;\n",
+       "    }\n",
+       "    fig.rubberband_canvas.style.cursor = cursor;\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.handle_message = function(fig, msg) {\n",
+       "    fig.message.textContent = msg['message'];\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.handle_draw = function(fig, msg) {\n",
+       "    // Request the server to send over a new figure.\n",
+       "    fig.send_draw_message();\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.handle_image_mode = function(fig, msg) {\n",
+       "    fig.image_mode = msg['mode'];\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.updated_canvas_event = function() {\n",
+       "    // Called whenever the canvas gets updated.\n",
+       "    this.send_message(\"ack\", {});\n",
+       "}\n",
+       "\n",
+       "// A function to construct a web socket function for onmessage handling.\n",
+       "// Called in the figure constructor.\n",
+       "mpl.figure.prototype._make_on_message_function = function(fig) {\n",
+       "    return function socket_on_message(evt) {\n",
+       "        if (evt.data instanceof Blob) {\n",
+       "            /* FIXME: We get \"Resource interpreted as Image but\n",
+       "             * transferred with MIME type text/plain:\" errors on\n",
+       "             * Chrome.  But how to set the MIME type?  It doesn't seem\n",
+       "             * to be part of the websocket stream */\n",
+       "            evt.data.type = \"image/png\";\n",
+       "\n",
+       "            /* Free the memory for the previous frames */\n",
+       "            if (fig.imageObj.src) {\n",
+       "                (window.URL || window.webkitURL).revokeObjectURL(\n",
+       "                    fig.imageObj.src);\n",
+       "            }\n",
+       "\n",
+       "            fig.imageObj.src = (window.URL || window.webkitURL).createObjectURL(\n",
+       "                evt.data);\n",
+       "            fig.updated_canvas_event();\n",
+       "            fig.waiting = false;\n",
+       "            return;\n",
+       "        }\n",
+       "        else if (typeof evt.data === 'string' && evt.data.slice(0, 21) == \"data:image/png;base64\") {\n",
+       "            fig.imageObj.src = evt.data;\n",
+       "            fig.updated_canvas_event();\n",
+       "            fig.waiting = false;\n",
+       "            return;\n",
+       "        }\n",
+       "\n",
+       "        var msg = JSON.parse(evt.data);\n",
+       "        var msg_type = msg['type'];\n",
+       "\n",
+       "        // Call the  \"handle_{type}\" callback, which takes\n",
+       "        // the figure and JSON message as its only arguments.\n",
+       "        try {\n",
+       "            var callback = fig[\"handle_\" + msg_type];\n",
+       "        } catch (e) {\n",
+       "            console.log(\"No handler for the '\" + msg_type + \"' message type: \", msg);\n",
+       "            return;\n",
+       "        }\n",
+       "\n",
+       "        if (callback) {\n",
+       "            try {\n",
+       "                // console.log(\"Handling '\" + msg_type + \"' message: \", msg);\n",
+       "                callback(fig, msg);\n",
+       "            } catch (e) {\n",
+       "                console.log(\"Exception inside the 'handler_\" + msg_type + \"' callback:\", e, e.stack, msg);\n",
+       "            }\n",
+       "        }\n",
+       "    };\n",
+       "}\n",
+       "\n",
+       "// from http://stackoverflow.com/questions/1114465/getting-mouse-location-in-canvas\n",
+       "mpl.findpos = function(e) {\n",
+       "    //this section is from http://www.quirksmode.org/js/events_properties.html\n",
+       "    var targ;\n",
+       "    if (!e)\n",
+       "        e = window.event;\n",
+       "    if (e.target)\n",
+       "        targ = e.target;\n",
+       "    else if (e.srcElement)\n",
+       "        targ = e.srcElement;\n",
+       "    if (targ.nodeType == 3) // defeat Safari bug\n",
+       "        targ = targ.parentNode;\n",
+       "\n",
+       "    // jQuery normalizes the pageX and pageY\n",
+       "    // pageX,Y are the mouse positions relative to the document\n",
+       "    // offset() returns the position of the element relative to the document\n",
+       "    var x = e.pageX - $(targ).offset().left;\n",
+       "    var y = e.pageY - $(targ).offset().top;\n",
+       "\n",
+       "    return {\"x\": x, \"y\": y};\n",
+       "};\n",
+       "\n",
+       "/*\n",
+       " * return a copy of an object with only non-object keys\n",
+       " * we need this to avoid circular references\n",
+       " * http://stackoverflow.com/a/24161582/3208463\n",
+       " */\n",
+       "function simpleKeys (original) {\n",
+       "  return Object.keys(original).reduce(function (obj, key) {\n",
+       "    if (typeof original[key] !== 'object')\n",
+       "        obj[key] = original[key]\n",
+       "    return obj;\n",
+       "  }, {});\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.mouse_event = function(event, name) {\n",
+       "    var canvas_pos = mpl.findpos(event)\n",
+       "\n",
+       "    if (name === 'button_press')\n",
+       "    {\n",
+       "        this.canvas.focus();\n",
+       "        this.canvas_div.focus();\n",
+       "    }\n",
+       "\n",
+       "    var x = canvas_pos.x * mpl.ratio;\n",
+       "    var y = canvas_pos.y * mpl.ratio;\n",
+       "\n",
+       "    this.send_message(name, {x: x, y: y, button: event.button,\n",
+       "                             step: event.step,\n",
+       "                             guiEvent: simpleKeys(event)});\n",
+       "\n",
+       "    /* This prevents the web browser from automatically changing to\n",
+       "     * the text insertion cursor when the button is pressed.  We want\n",
+       "     * to control all of the cursor setting manually through the\n",
+       "     * 'cursor' event from matplotlib */\n",
+       "    event.preventDefault();\n",
+       "    return false;\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype._key_event_extra = function(event, name) {\n",
+       "    // Handle any extra behaviour associated with a key event\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.key_event = function(event, name) {\n",
+       "\n",
+       "    // Prevent repeat events\n",
+       "    if (name == 'key_press')\n",
+       "    {\n",
+       "        if (event.which === this._key)\n",
+       "            return;\n",
+       "        else\n",
+       "            this._key = event.which;\n",
+       "    }\n",
+       "    if (name == 'key_release')\n",
+       "        this._key = null;\n",
+       "\n",
+       "    var value = '';\n",
+       "    if (event.ctrlKey && event.which != 17)\n",
+       "        value += \"ctrl+\";\n",
+       "    if (event.altKey && event.which != 18)\n",
+       "        value += \"alt+\";\n",
+       "    if (event.shiftKey && event.which != 16)\n",
+       "        value += \"shift+\";\n",
+       "\n",
+       "    value += 'k';\n",
+       "    value += event.which.toString();\n",
+       "\n",
+       "    this._key_event_extra(event, name);\n",
+       "\n",
+       "    this.send_message(name, {key: value,\n",
+       "                             guiEvent: simpleKeys(event)});\n",
+       "    return false;\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.toolbar_button_onclick = function(name) {\n",
+       "    if (name == 'download') {\n",
+       "        this.handle_save(this, null);\n",
+       "    } else {\n",
+       "        this.send_message(\"toolbar_button\", {name: name});\n",
+       "    }\n",
+       "};\n",
+       "\n",
+       "mpl.figure.prototype.toolbar_button_onmouseover = function(tooltip) {\n",
+       "    this.message.textContent = tooltip;\n",
+       "};\n",
+       "mpl.toolbar_items = [[\"Home\", \"Reset original view\", \"fa fa-home icon-home\", \"home\"], [\"Back\", \"Back to  previous view\", \"fa fa-arrow-left icon-arrow-left\", \"back\"], [\"Forward\", \"Forward to next view\", \"fa fa-arrow-right icon-arrow-right\", \"forward\"], [\"\", \"\", \"\", \"\"], [\"Pan\", \"Pan axes with left mouse, zoom with right\", \"fa fa-arrows icon-move\", \"pan\"], [\"Zoom\", \"Zoom to rectangle\", \"fa fa-square-o icon-check-empty\", \"zoom\"], [\"\", \"\", \"\", \"\"], [\"Download\", \"Download plot\", \"fa fa-floppy-o icon-save\", \"download\"]];\n",
+       "\n",
+       "mpl.extensions = [\"eps\", \"jpeg\", \"pdf\", \"png\", \"ps\", \"raw\", \"svg\", \"tif\"];\n",
+       "\n",
+       "mpl.default_extension = \"png\";var comm_websocket_adapter = function(comm) {\n",
+       "    // Create a \"websocket\"-like object which calls the given IPython comm\n",
+       "    // object with the appropriate methods. Currently this is a non binary\n",
+       "    // socket, so there is still some room for performance tuning.\n",
+       "    var ws = {};\n",
+       "\n",
+       "    ws.close = function() {\n",
+       "        comm.close()\n",
+       "    };\n",
+       "    ws.send = function(m) {\n",
+       "        //console.log('sending', m);\n",
+       "        comm.send(m);\n",
+       "    };\n",
+       "    // Register the callback with on_msg.\n",
+       "    comm.on_msg(function(msg) {\n",
+       "        //console.log('receiving', msg['content']['data'], msg);\n",
+       "        // Pass the mpl event to the overriden (by mpl) onmessage function.\n",
+       "        ws.onmessage(msg['content']['data'])\n",
+       "    });\n",
+       "    return ws;\n",
+       "}\n",
+       "\n",
+       "mpl.mpl_figure_comm = function(comm, msg) {\n",
+       "    // This is the function which gets called when the mpl process\n",
+       "    // starts-up an IPython Comm through the \"matplotlib\" channel.\n",
+       "\n",
+       "    var id = msg.content.data.id;\n",
+       "    // Get hold of the div created by the display call when the Comm\n",
+       "    // socket was opened in Python.\n",
+       "    var element = $(\"#\" + id);\n",
+       "    var ws_proxy = comm_websocket_adapter(comm)\n",
+       "\n",
+       "    function ondownload(figure, format) {\n",
+       "        window.open(figure.imageObj.src);\n",
+       "    }\n",
+       "\n",
+       "    var fig = new mpl.figure(id, ws_proxy,\n",
+       "                           ondownload,\n",
+       "                           element.get(0));\n",
+       "\n",
+       "    // Call onopen now - mpl needs it, as it is assuming we've passed it a real\n",
+       "    // web socket which is closed, not our websocket->open comm proxy.\n",
+       "    ws_proxy.onopen();\n",
+       "\n",
+       "    fig.parent_element = element.get(0);\n",
+       "    fig.cell_info = mpl.find_output_cell(\"<div id='\" + id + \"'></div>\");\n",
+       "    if (!fig.cell_info) {\n",
+       "        console.error(\"Failed to find cell for figure\", id, fig);\n",
+       "        return;\n",
+       "    }\n",
+       "\n",
+       "    var output_index = fig.cell_info[2]\n",
+       "    var cell = fig.cell_info[0];\n",
+       "\n",
+       "};\n",
+       "\n",
+       "mpl.figure.prototype.handle_close = function(fig, msg) {\n",
+       "    var width = fig.canvas.width/mpl.ratio\n",
+       "    fig.root.unbind('remove')\n",
+       "\n",
+       "    // Update the output cell to use the data from the current canvas.\n",
+       "    fig.push_to_output();\n",
+       "    var dataURL = fig.canvas.toDataURL();\n",
+       "    // Re-enable the keyboard manager in IPython - without this line, in FF,\n",
+       "    // the notebook keyboard shortcuts fail.\n",
+       "    IPython.keyboard_manager.enable()\n",
+       "    $(fig.parent_element).html('<img src=\"' + dataURL + '\" width=\"' + width + '\">');\n",
+       "    fig.close_ws(fig, msg);\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.close_ws = function(fig, msg){\n",
+       "    fig.send_message('closing', msg);\n",
+       "    // fig.ws.close()\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.push_to_output = function(remove_interactive) {\n",
+       "    // Turn the data on the canvas into data in the output cell.\n",
+       "    var width = this.canvas.width/mpl.ratio\n",
+       "    var dataURL = this.canvas.toDataURL();\n",
+       "    this.cell_info[1]['text/html'] = '<img src=\"' + dataURL + '\" width=\"' + width + '\">';\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.updated_canvas_event = function() {\n",
+       "    // Tell IPython that the notebook contents must change.\n",
+       "    IPython.notebook.set_dirty(true);\n",
+       "    this.send_message(\"ack\", {});\n",
+       "    var fig = this;\n",
+       "    // Wait a second, then push the new image to the DOM so\n",
+       "    // that it is saved nicely (might be nice to debounce this).\n",
+       "    setTimeout(function () { fig.push_to_output() }, 1000);\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype._init_toolbar = function() {\n",
+       "    var fig = this;\n",
+       "\n",
+       "    var nav_element = $('<div/>')\n",
+       "    nav_element.attr('style', 'width: 100%');\n",
+       "    this.root.append(nav_element);\n",
+       "\n",
+       "    // Define a callback function for later on.\n",
+       "    function toolbar_event(event) {\n",
+       "        return fig.toolbar_button_onclick(event['data']);\n",
+       "    }\n",
+       "    function toolbar_mouse_event(event) {\n",
+       "        return fig.toolbar_button_onmouseover(event['data']);\n",
+       "    }\n",
+       "\n",
+       "    for(var toolbar_ind in mpl.toolbar_items){\n",
+       "        var name = mpl.toolbar_items[toolbar_ind][0];\n",
+       "        var tooltip = mpl.toolbar_items[toolbar_ind][1];\n",
+       "        var image = mpl.toolbar_items[toolbar_ind][2];\n",
+       "        var method_name = mpl.toolbar_items[toolbar_ind][3];\n",
+       "\n",
+       "        if (!name) { continue; };\n",
+       "\n",
+       "        var button = $('<button class=\"btn btn-default\" href=\"#\" title=\"' + name + '\"><i class=\"fa ' + image + ' fa-lg\"></i></button>');\n",
+       "        button.click(method_name, toolbar_event);\n",
+       "        button.mouseover(tooltip, toolbar_mouse_event);\n",
+       "        nav_element.append(button);\n",
+       "    }\n",
+       "\n",
+       "    // Add the status bar.\n",
+       "    var status_bar = $('<span class=\"mpl-message\" style=\"text-align:right; float: right;\"/>');\n",
+       "    nav_element.append(status_bar);\n",
+       "    this.message = status_bar[0];\n",
+       "\n",
+       "    // Add the close button to the window.\n",
+       "    var buttongrp = $('<div class=\"btn-group inline pull-right\"></div>');\n",
+       "    var button = $('<button class=\"btn btn-mini btn-primary\" href=\"#\" title=\"Stop Interaction\"><i class=\"fa fa-power-off icon-remove icon-large\"></i></button>');\n",
+       "    button.click(function (evt) { fig.handle_close(fig, {}); } );\n",
+       "    button.mouseover('Stop Interaction', toolbar_mouse_event);\n",
+       "    buttongrp.append(button);\n",
+       "    var titlebar = this.root.find($('.ui-dialog-titlebar'));\n",
+       "    titlebar.prepend(buttongrp);\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype._root_extra_style = function(el){\n",
+       "    var fig = this\n",
+       "    el.on(\"remove\", function(){\n",
+       "\tfig.close_ws(fig, {});\n",
+       "    });\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype._canvas_extra_style = function(el){\n",
+       "    // this is important to make the div 'focusable\n",
+       "    el.attr('tabindex', 0)\n",
+       "    // reach out to IPython and tell the keyboard manager to turn it's self\n",
+       "    // off when our div gets focus\n",
+       "\n",
+       "    // location in version 3\n",
+       "    if (IPython.notebook.keyboard_manager) {\n",
+       "        IPython.notebook.keyboard_manager.register_events(el);\n",
+       "    }\n",
+       "    else {\n",
+       "        // location in version 2\n",
+       "        IPython.keyboard_manager.register_events(el);\n",
+       "    }\n",
+       "\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype._key_event_extra = function(event, name) {\n",
+       "    var manager = IPython.notebook.keyboard_manager;\n",
+       "    if (!manager)\n",
+       "        manager = IPython.keyboard_manager;\n",
+       "\n",
+       "    // Check for shift+enter\n",
+       "    if (event.shiftKey && event.which == 13) {\n",
+       "        this.canvas_div.blur();\n",
+       "        // select the cell after this one\n",
+       "        var index = IPython.notebook.find_cell_index(this.cell_info[0]);\n",
+       "        IPython.notebook.select(index + 1);\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "mpl.figure.prototype.handle_save = function(fig, msg) {\n",
+       "    fig.ondownload(fig, null);\n",
+       "}\n",
+       "\n",
+       "\n",
+       "mpl.find_output_cell = function(html_output) {\n",
+       "    // Return the cell and output element which can be found *uniquely* in the notebook.\n",
+       "    // Note - this is a bit hacky, but it is done because the \"notebook_saving.Notebook\"\n",
+       "    // IPython event is triggered only after the cells have been serialised, which for\n",
+       "    // our purposes (turning an active figure into a static one), is too late.\n",
+       "    var cells = IPython.notebook.get_cells();\n",
+       "    var ncells = cells.length;\n",
+       "    for (var i=0; i<ncells; i++) {\n",
+       "        var cell = cells[i];\n",
+       "        if (cell.cell_type === 'code'){\n",
+       "            for (var j=0; j<cell.output_area.outputs.length; j++) {\n",
+       "                var data = cell.output_area.outputs[j];\n",
+       "                if (data.data) {\n",
+       "                    // IPython >= 3 moved mimebundle to data attribute of output\n",
+       "                    data = data.data;\n",
+       "                }\n",
+       "                if (data['text/html'] == html_output) {\n",
+       "                    return [cell, data, j];\n",
+       "                }\n",
+       "            }\n",
+       "        }\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "// Register the function which deals with the matplotlib target/channel.\n",
+       "// The kernel may be null if the page has been refreshed.\n",
+       "if (IPython.notebook.kernel != null) {\n",
+       "    IPython.notebook.kernel.comm_manager.register_target('matplotlib', mpl.mpl_figure_comm);\n",
+       "}\n"
+      ],
+      "text/plain": [
+       "<IPython.core.display.Javascript object>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/html": [
+       "<img 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\" width=\"640\">"
+      ],
+      "text/plain": [
+       "<IPython.core.display.HTML object>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Minimum at: [ 8.01525811]\n"
+     ]
+    }
+   ],
+   "source": [
+    "%matplotlib notebook\n",
+    "from pylab import *\n",
+    "from scipy import special, optimize\n",
+    "\n",
+    "def myfunc(x):\n",
+    "  return special.jv(3, x)\n",
+    "\n",
+    "sol = optimize.minimize(myfunc, 6.0)\n",
+    "x = linspace(0, 10, 5000)\n",
+    "plot(x, myfunc(x), '-')\n",
+    "plot(sol.x, sol.fun, 'o')\n",
+    "print(\"Minimum at:\",sol.x)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {
+    "collapsed": true
+   },
+   "outputs": [],
+   "source": []
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.4.3"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}