--------- :ITE059: 59. ITERATION --------- :NATO : 2 INDEPENDEND AND 3 TOTAL ATOMS IN UNITCELL SUBSTANCE: AmO2 LATTICE = F :POT : POTENTIAL OPTION 19 :LAT : LATTICE CONSTANTS= 10.15445 10.15445 10.15445 1.571 1.571 1.571 :VOL : UNIT CELL VOLUME = 261.76335 MODE OF CALCULATION IS = RELA NON-SPINPOLARIZED CALCULATION :IFFT : FFT-parameters: 80 80 80 Factor: 2.00 ATOMNUMBER= 1 Am VCOUL-ZERO = 0.20885E+00 ATOMNUMBER= 2 O VCOUL-ZERO = 0.79386E+00 :FIT001: SIGMA OF V-XC FIT FOR ATOM 1 0.3139296E-02 :FIT001: SIGMA OF V-XC FIT FOR ATOM 1 0.3139296E-02 :FIT002: SIGMA OF V-XC FIT FOR ATOM 2 0.5044447E-02 :FIT002: SIGMA OF V-XC FIT FOR ATOM 2 0.5044447E-02 :DEN : DENSITY INTEGRALS = -22558.806498 (Ry) ELS_POTENTIAL_AT Z=0 and Z=0.5: -2.89486 -2.89486 ELS_POTENTIAL_AT Y=0 and Y=0.5: 0.00000 0.00000 :VZERO:v0,v0c,v0x -3.64483 -2.89486 -0.74996 v5,v5c,v5x -3.64483 -2.89486 -0.74996 :VZERY:v0,v0c,v0x -0.85126 0.00000 -0.85126 v5,v5c,v5x -0.85126 0.00000 -0.85126 :VZERX:v0,v0c,v0x -0.85126 0.00000 -0.85126 v5,v5c,v5x -0.85126 0.00000 -0.85126