EORB  -0.800751
 JATOM =            1   J =            1
   ESX =   -1026.20069067400        OCC =    2.00000000000000     
   2.00000000000000     
   ESUM =   -1164.70673757800     
 JATOM =            1   J =            2
   ESX =   -118.281475440000        OCC =    2.00000000000000     
   2.00000000000000     
   ESUM =   -2190.90742825200     
 JATOM =            1   J =            3
   ESX =   -101.753200820000        OCC =    2.00000000000000     
   2.00000000000000     
   ESUM =   -2309.18890369200     
 JATOM =            1   J =            4
   ESX =   -199.835978592000        OCC =    4.00000000000000     
   4.00000000000000     
   ESUM =   -2410.94210451200     
 JATOM =            1   J =            5
   ESX =   -11.7018143520000        OCC =    2.00000000000000     
   2.00000000000000     
   ESUM =   -2610.77808310400     
 JATOM =            2   J =            1
   ESX =   -73.0723714020000        OCC =    2.00000000000000     
   2.00000000000000     
   ESUM =   -2622.47989745600     
   ESUM =   -2695.55226885800     
494. ITERATION


 :CINT Core integral, Spin Up atom            1   11.9965563754916     
 :CINT Core integral, Spin Up atom            2   1.99999996383388     
 IFFT-PARAMETERS USED:          28          28          28
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    2.4467791
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       24.1054030
:NTO002: TOTAL   CHARGE IN SPHERE  2 =        7.4761315

:NEC01: NUCLEAR AND ELECTRONIC CHARGE     34.00000    34.02831     0.99917
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    2.4184737
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       24.1053960
:OTO002: TOTAL   CHARGE IN SPHERE  2 =        7.4761303

:NEC02: NUCLEAR AND ELECTRONIC CHARGE     34.00000    34.00000     1.00000
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0000061
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000013

:DIS  :  CHARGE DISTANCE       ( 0.0000061 for atom    1 spin 1)      0.0000074
Big check    0.203D-05   0.311D-05   0.369D-05
       MSEC1 MIXING SCHEME WITH 0.200
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    2.4184687
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       24.1053998
:CTO002: TOTAL   CHARGE IN SPHERE  2 =        7.4761315

:NEC03: NUCLEAR AND ELECTRONIC CHARGE     34.00000    34.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =        -2695.552269