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:ITE085: 85. ITERATION
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:NATO :    2 INDEPENDEND AND    2 TOTAL ATOMS IN UNITCELL
       SUBSTANCE: NiO                                                         

       LATTICE                      = F   
:POT  : POTENTIAL OPTION   13
:LAT  : LATTICE CONSTANTS=  7.92600  7.92600  7.92600    1.571    1.571    1.571
:VOL  : UNIT CELL VOLUME =     124.48075
       MODE OF CALCULATION IS       = RELA
       NON-SPINPOLARIZED CALCULATION
:IFFT  : FFT-parameters:   64   64   64 Factor: 2.00
       ATOMNUMBER=  1 Ni1        VCOUL-ZERO =  0.36049E+00
       ATOMNUMBER=  2 O 1        VCOUL-ZERO =  0.54760E+00
:FIT001: SIGMA OF V-XC FIT FOR ATOM  1  0.1642871E-01
:FIT001: SIGMA OF V-XC FIT FOR ATOM  1  0.1642871E-01
:FIT002: SIGMA OF V-XC FIT FOR ATOM  2  0.4609517E-03
:FIT002: SIGMA OF V-XC FIT FOR ATOM  2  0.4609517E-03
:DEN  : DENSITY INTEGRALS =           -1366.884138   (Ry)
       ELS_POTENTIAL_AT Z=0 and Z=0.5:  -2.44679  -2.44679
       ELS_POTENTIAL_AT Y=0 and Y=0.5:   0.00000   0.00000
:VZERO:v0,v0c,v0x  -3.54488  -2.44679  -1.09810 v5,v5c,v5x  -3.54488  -2.44679  -1.09810
:VZERY:v0,v0c,v0x  -0.81938   0.00000  -0.81938 v5,v5c,v5x  -0.81938   0.00000  -0.81938
:VZERX:v0,v0c,v0x  -0.81938   0.00000  -0.81938 v5,v5c,v5x  -0.81938   0.00000  -0.81938