--------- :ITE055: 55. ITERATION --------- :NATO : 2 INDEPENDEND AND 2 TOTAL ATOMS IN UNITCELL SUBSTANCE: AmC-PM LATTICE = F :POT : POTENTIAL OPTION 13 :LAT : LATTICE CONSTANTS= 9.48643 9.48643 9.48643 1.571 1.571 1.571 :VOL : UNIT CELL VOLUME = 213.42647 MODE OF CALCULATION IS = RELA NON-SPINPOLARIZED CALCULATION :IFFT : FFT-parameters: 80 80 80 Factor: 2.00 ATOMNUMBER= 1 Am VCOUL-ZERO = 0.54111E+00 ATOMNUMBER= 2 C VCOUL-ZERO = 0.85534E+00 :FIT001: SIGMA OF V-XC FIT FOR ATOM 1 0.3303580E-02 :FIT001: SIGMA OF V-XC FIT FOR ATOM 1 0.3303580E-02 :FIT002: SIGMA OF V-XC FIT FOR ATOM 2 0.3292351E-02 :FIT002: SIGMA OF V-XC FIT FOR ATOM 2 0.3292351E-02 :DEN : DENSITY INTEGRALS = -22480.236164 (Ry) ELS_POTENTIAL_AT Z=0 and Z=0.5: -3.65652 -3.65652 ELS_POTENTIAL_AT Y=0 and Y=0.5: 0.00000 0.00000 :VZERO:v0,v0c,v0x -5.04088 -3.65652 -1.38436 v5,v5c,v5x -5.04088 -3.65652 -1.38436 :VZERY:v0,v0c,v0x -0.85838 0.00000 -0.85838 v5,v5c,v5x -0.85838 0.00000 -0.85838 :VZERX:v0,v0c,v0x -0.85838 0.00000 -0.85838 v5,v5c,v5x -0.85838 0.00000 -0.85838