--------- :ITE057: 57. ITERATION --------- :NATO : 2 INDEPENDEND AND 2 TOTAL ATOMS IN UNITCELL SUBSTANCE: AmN-PM LATTICE = F :POT : POTENTIAL OPTION 13 :LAT : LATTICE CONSTANTS= 9.43919 9.43919 9.43919 1.571 1.571 1.571 :VOL : UNIT CELL VOLUME = 210.25370 MODE OF CALCULATION IS = RELA NON-SPINPOLARIZED CALCULATION :IFFT : FFT-parameters: 80 80 80 Factor: 2.00 ATOMNUMBER= 1 Am VCOUL-ZERO = 0.50631E+00 ATOMNUMBER= 2 N VCOUL-ZERO = 0.86760E+00 :FIT001: SIGMA OF V-XC FIT FOR ATOM 1 0.7066225E-02 :FIT001: SIGMA OF V-XC FIT FOR ATOM 1 0.7066225E-02 :FIT002: SIGMA OF V-XC FIT FOR ATOM 2 0.6752620E-02 :FIT002: SIGMA OF V-XC FIT FOR ATOM 2 0.6752620E-02 :DEN : DENSITY INTEGRALS = -22499.556740 (Ry) ELS_POTENTIAL_AT Z=0 and Z=0.5: -3.51469 -3.51469 ELS_POTENTIAL_AT Y=0 and Y=0.5: 0.00000 0.00000 :VZERO:v0,v0c,v0x -4.92394 -3.51469 -1.40925 v5,v5c,v5x -4.92394 -3.51469 -1.40925 :VZERY:v0,v0c,v0x -0.84874 0.00000 -0.84874 v5,v5c,v5x -0.84874 0.00000 -0.84874 :VZERX:v0,v0c,v0x -0.84874 0.00000 -0.84874 v5,v5c,v5x -0.84874 0.00000 -0.84874