---------
:ITE889:889. ITERATION
            ---------

:NATO :    2 INDEPENDEND AND    4 TOTAL ATOMS IN UNITCELL
       SUBSTANCE: FeTe                                                        

       LATTICE                      = P   
:POT  : POTENTIAL OPTION   13
:LAT  : LATTICE CONSTANTS=  7.22235  7.22235 11.87712    1.571    1.571    1.571
:VOL  : UNIT CELL VOLUME =     619.53796
       MODE OF CALCULATION IS       = RELA
       NON-SPINPOLARIZED CALCULATION
:IFFT  : FFT-parameters:   60   60   96 Factor: 2.00
       ATOMNUMBER=  1 Fe         VCOUL-ZERO =  0.40866E+00
:EFG001:                        EFG         =    -0.32970   *10**21  V / m**2
                               V20  TOT/SRF=    -0.28553     0.01029
                               V22  TOT/SRF=     0.00000     0.00000
                               V22M TOT/SRF=     0.00000     0.00000
                               V21  TOT/SRF=     0.00000     0.00000
                               V21M TOT/SRF=     0.00000     0.00000

              0.16485    0.00000    0.00000        0.16485    0.00000    0.00000
              0.00000    0.16485    0.00000        0.00000    0.16485    0.00000
              0.00000    0.00000   -0.32970        0.00000    0.00000   -0.32970

         MAIN DIRECTIONS OF THE EFG   1.0000  0.0000  0.0000
                                      0.0000  1.0000  0.0000
                                      0.0000  0.0000  1.0000
:ANG001:  ANGLE WITH OLD X-AXIS =         0.0

:ETA001:                         ASYMM. ETA =     0.00000


       ATOMNUMBER=  2 Te         VCOUL-ZERO =  0.10667E+00
:EFG002:                        EFG         =    -8.36444   *10**21  V / m**2
                               V20  TOT/SRF=    -7.24382     0.01391
                               V22  TOT/SRF=     0.00000     0.00000
                               V22M TOT/SRF=     0.00000     0.00000
                               V21  TOT/SRF=     0.00000     0.00000
                               V21M TOT/SRF=     0.00000     0.00000

              4.18222    0.00000    0.00000        4.18222    0.00000    0.00000
              0.00000    4.18222    0.00000        0.00000    4.18222    0.00000
              0.00000    0.00000   -8.36444        0.00000    0.00000   -8.36444

         MAIN DIRECTIONS OF THE EFG   1.0000  0.0000  0.0000
                                      0.0000  1.0000  0.0000
                                      0.0000  0.0000  1.0000
:ANG002:  ANGLE WITH OLD X-AXIS =         0.0

:ETA002:                         ASYMM. ETA =     0.00000


       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        808.404          0.000          0.000        808.404

:FIT001: SIGMA OF V-XC FIT FOR ATOM  1  0.4451007E-02
:FIT001: SIGMA OF V-XC FIT FOR ATOM  1  0.4451007E-02
:FIT002: SIGMA OF V-XC FIT FOR ATOM  2  0.4410891E-03
:FIT002: SIGMA OF V-XC FIT FOR ATOM  2  0.4410891E-03
:DEN  : DENSITY INTEGRALS =          -12809.037520   (Ry)
       ELS_POTENTIAL_AT Z=0 and Z=0.5:  -0.48887   0.64101
       ELS_POTENTIAL_AT Y=0 and Y=0.5:   0.00000   0.00000
:VZERO:v0,v0c,v0x  -1.22260  -0.48887  -0.73373 v5,v5c,v5x   0.12963   0.64101  -0.51137
:VZERY:v0,v0c,v0x  -0.68537   0.00000  -0.68537 v5,v5c,v5x  -0.68537   0.00000  -0.68537
:VZERX:v0,v0c,v0x   0.01097   0.71246  -0.70150 v5,v5c,v5x   0.01097   0.71246  -0.70150