--------- :ITE064: 64. ITERATION --------- :NATO : 2 INDEPENDEND AND 2 TOTAL ATOMS IN UNITCELL SUBSTANCE: CmN-PM LATTICE = F :POT : POTENTIAL OPTION 11 :LAT : LATTICE CONSTANTS= 9.52611 9.52611 9.52611 1.571 1.571 1.571 :VOL : UNIT CELL VOLUME = 216.11614 MODE OF CALCULATION IS = RELA NON-SPINPOLARIZED CALCULATION :IFFT : FFT-parameters: 80 80 80 Factor: 2.00 ATOMNUMBER= 1 Cm VCOUL-ZERO = 0.67475E+00 ATOMNUMBER= 2 N VCOUL-ZERO = 0.68950E+00 :FIT001: SIGMA OF V-XC FIT FOR ATOM 1 0.9592000E-02 :FIT001: SIGMA OF V-XC FIT FOR ATOM 1 0.9592000E-02 :FIT002: SIGMA OF V-XC FIT FOR ATOM 2 0.6254510E-04 :FIT002: SIGMA OF V-XC FIT FOR ATOM 2 0.6254510E-04 :DEN : DENSITY INTEGRALS = -23066.386152 (Ry) ELS_POTENTIAL_AT Z=0 and Z=0.5: -2.82298 -2.82298 ELS_POTENTIAL_AT Y=0 and Y=0.5: 0.00000 0.00000 :VZERO:v0,v0c,v0x -4.05012 -2.82298 -1.22714 v5,v5c,v5x -4.05012 -2.82298 -1.22714 :VZERY:v0,v0c,v0x -0.80826 0.00000 -0.80826 v5,v5c,v5x -0.80826 0.00000 -0.80826 :VZERX:v0,v0c,v0x -0.80826 0.00000 -0.80826 v5,v5c,v5x -0.80826 0.00000 -0.80826