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:ITE056: 56. ITERATION
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:NATO :    2 INDEPENDEND AND    3 TOTAL ATOMS IN UNITCELL
       SUBSTANCE: NpO2-PM                                                     

       LATTICE                      = F   
:POT  : POTENTIAL OPTION   13
:LAT  : LATTICE CONSTANTS= 10.26443 10.26443 10.26443    1.571    1.571    1.571
:VOL  : UNIT CELL VOLUME =     270.36122
       MODE OF CALCULATION IS       = RELA
       NON-SPINPOLARIZED CALCULATION
:IFFT  : FFT-parameters:   80   80   80 Factor: 2.00
       ATOMNUMBER=  1 Np         VCOUL-ZERO =  0.19790E+00
       ATOMNUMBER=  2 O          VCOUL-ZERO =  0.80362E+00
:FIT001: SIGMA OF V-XC FIT FOR ATOM  1  0.5055174E-02
:FIT001: SIGMA OF V-XC FIT FOR ATOM  1  0.5055174E-02
:FIT002: SIGMA OF V-XC FIT FOR ATOM  2  0.6633003E-02
:FIT002: SIGMA OF V-XC FIT FOR ATOM  2  0.6633003E-02
:DEN  : DENSITY INTEGRALS =          -21444.313913   (Ry)
       ELS_POTENTIAL_AT Z=0 and Z=0.5:  -3.00596  -3.00596
       ELS_POTENTIAL_AT Y=0 and Y=0.5:   0.00000   0.00000
:VZERO:v0,v0c,v0x  -3.71371  -3.00596  -0.70775 v5,v5c,v5x  -3.71371  -3.00596  -0.70775
:VZERY:v0,v0c,v0x  -0.83092   0.00000  -0.83092 v5,v5c,v5x  -0.83092   0.00000  -0.83092
:VZERX:v0,v0c,v0x  -0.83092   0.00000  -0.83092 v5,v5c,v5x  -0.83092   0.00000  -0.83092