--------- :ITE071: 71. ITERATION --------- :NATO : 2 INDEPENDEND AND 2 TOTAL ATOMS IN UNITCELL SUBSTANCE: NpN-PM LATTICE = F :POT : POTENTIAL OPTION 19 :LAT : LATTICE CONSTANTS= 9.25399 9.25399 9.25399 1.571 1.571 1.571 :VOL : UNIT CELL VOLUME = 198.11963 MODE OF CALCULATION IS = RELA NON-SPINPOLARIZED CALCULATION :IFFT : FFT-parameters: 72 72 72 Factor: 2.00 ATOMNUMBER= 1 Np VCOUL-ZERO = 0.51715E+00 ATOMNUMBER= 2 N VCOUL-ZERO = 0.90790E+00 :FIT001: SIGMA OF V-XC FIT FOR ATOM 1 0.3535715E-02 :FIT001: SIGMA OF V-XC FIT FOR ATOM 1 0.3535715E-02 :FIT002: SIGMA OF V-XC FIT FOR ATOM 2 0.2301963E-02 :FIT002: SIGMA OF V-XC FIT FOR ATOM 2 0.2301963E-02 :DEN : DENSITY INTEGRALS = -21372.455135 (Ry) ELS_POTENTIAL_AT Z=0 and Z=0.5: -3.67157 -3.67157 ELS_POTENTIAL_AT Y=0 and Y=0.5: 0.00000 0.00000 :VZERO:v0,v0c,v0x -5.05538 -3.67157 -1.38381 v5,v5c,v5x -5.05538 -3.67157 -1.38381 :VZERY:v0,v0c,v0x -0.88014 0.00000 -0.88014 v5,v5c,v5x -0.88014 0.00000 -0.88014 :VZERX:v0,v0c,v0x -0.88014 0.00000 -0.88014 v5,v5c,v5x -0.88014 0.00000 -0.88014