--------- :ITE495:495. ITERATION --------- :NATO : 2 INDEPENDEND AND 2 TOTAL ATOMS IN UNITCELL SUBSTANCE: FeO LATTICE = F :POT : POTENTIAL OPTION 11 :LAT : LATTICE CONSTANTS= 8.14500 8.14500 8.14500 1.571 1.571 1.571 :VOL : UNIT CELL VOLUME = 135.08691 MODE OF CALCULATION IS = RELA NON-SPINPOLARIZED CALCULATION :IFFT : FFT-parameters: 50 50 50 Factor: 1.00 ATOMNUMBER= 1 Fe1 VCOUL-ZERO = 0.37794E+00 ATOMNUMBER= 2 O 1 VCOUL-ZERO = 0.58865E+00 :FIT001: SIGMA OF V-XC FIT FOR ATOM 1 0.6754133E-02 :FIT001: SIGMA OF V-XC FIT FOR ATOM 1 0.6754133E-02 :FIT002: SIGMA OF V-XC FIT FOR ATOM 2 0.1066050E-03 :FIT002: SIGMA OF V-XC FIT FOR ATOM 2 0.1066050E-03 :DEN : DENSITY INTEGRALS = -1146.537350 (Ry) ELS_POTENTIAL_AT Z=0 and Z=0.5: -2.86914 -2.86914 ELS_POTENTIAL_AT Y=0 and Y=0.5: 0.00000 0.00000 :VZERO:v0,v0c,v0x -4.19031 -2.86914 -1.32116 v5,v5c,v5x -4.19031 -2.86914 -1.32116 :VZERY:v0,v0c,v0x -0.85652 0.00000 -0.85652 v5,v5c,v5x -0.85652 0.00000 -0.85652 :VZERX:v0,v0c,v0x -0.85652 0.00000 -0.85652 v5,v5c,v5x -0.85652 0.00000 -0.85652