---------
:ITE027: 27. ITERATION
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:NATO :    2 INDEPENDEND AND    6 TOTAL ATOMS IN UNITCELL
       SUBSTANCE: blebleble                                                   

       LATTICE                      = P   
:POT  : POTENTIAL OPTION   13
:LAT  : LATTICE CONSTANTS= 10.01782 11.31152  5.44657    1.571    1.571    1.571
:VOL  : UNIT CELL VOLUME =     617.18753
       MODE OF CALCULATION IS       = RELA
       NON-SPINPOLARIZED CALCULATION
:IFFT  : FFT-parameters:   80   90   48 Factor: 2.00
       ATOMNUMBER=  1 Fe         VCOUL-ZERO =  0.55933E+00
:EFG001:                        EFG         =     8.98702   *10**21  V / m**2
                               V20  TOT/SRF=     7.78299    -0.05939
                               V22  TOT/SRF=     3.20268     0.02830
                               V22M TOT/SRF=    -2.44234    -0.07164
                               V21  TOT/SRF=     0.00000     0.00000
                               V21M TOT/SRF=     0.00000     0.00000

             -1.29084   -2.44234    0.00000       -0.46584    0.00000    0.00000
             -2.44234   -7.69619    0.00000        0.00000   -8.52118    0.00000
              0.00000    0.00000    8.98702        0.00000    0.00000    8.98702

         MAIN DIRECTIONS OF THE EFG   1.0000  0.3378  0.0000
                                     -0.3378  1.0000  0.0000
                                      0.0000  0.0000  1.0000
:ANG001:  ANGLE WITH OLD X-AXIS =        18.7

:ETA001:                         ASYMM. ETA =     0.89633


       ATOMNUMBER=  2 As         VCOUL-ZERO =  0.30794E+00
:EFG002:                        EFG         =   -16.58877   *10**21  V / m**2
                               V20  TOT/SRF=    11.29920     0.02396
                               V22  TOT/SRF=     2.19588     0.02573
                               V22M TOT/SRF=    -9.82272    -0.00537
                               V21  TOT/SRF=     0.00000     0.00000
                               V21M TOT/SRF=     0.00000     0.00000

             -4.32771   -9.82272    0.00000        3.54157    0.00000    0.00000
             -9.82272   -8.71948    0.00000        0.00000  -16.58877    0.00000
              0.00000    0.00000   13.04719        0.00000    0.00000   13.04719

         MAIN DIRECTIONS OF THE EFG   1.0000  0.8011  0.0000
                                     -0.8011  1.0000  0.0000
                                      0.0000  0.0000  1.0000
:ANG002:  ANGLE WITH OLD X-AXIS =        38.7

:ETA002:                         ASYMM. ETA =     0.57302


       HELLMAN-FEYMAN-FORCE IN mRy/a.u. = |F|  Fx       Fy             Fz
:FHF001:   1.ATOM          0.000          0.000          0.000          0.000

       HELLMAN-FEYMAN-FORCE IN mRy/a.u. = |F|  Fx       Fy             Fz
:FHF002:   2.ATOM        729.181        -25.369       -728.740          0.000

:FIT001: SIGMA OF V-XC FIT FOR ATOM  1  0.7154800E-02
:FIT001: SIGMA OF V-XC FIT FOR ATOM  1  0.7154800E-02
:FIT002: SIGMA OF V-XC FIT FOR ATOM  2  0.9561893E-03
:FIT002: SIGMA OF V-XC FIT FOR ATOM  2  0.9561893E-03
:DEN  : DENSITY INTEGRALS =           -9823.307411   (Ry)
       ELS_POTENTIAL_AT Z=0 and Z=0.5:  -0.28507  -0.28507
       ELS_POTENTIAL_AT Y=0 and Y=0.5:  -0.04149  -0.04149
:VZERO:v0,v0c,v0x  -1.08081  -0.28507  -0.79574 v5,v5c,v5x  -1.08081  -0.28507  -0.79574
:VZERY:v0,v0c,v0x  -0.87916  -0.04149  -0.83768 v5,v5c,v5x  -0.87916  -0.04149  -0.83768
:VZERX:v0,v0c,v0x  -0.61490   0.15715  -0.77205 v5,v5c,v5x  -0.61490   0.15715  -0.77205