DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        6.244937        0.000000    14883.068484    14889.313421
:RTO002:   2        7.328936        0.000000     1886.295054     1893.623990
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=   12.6649180
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9915025
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8366211

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    160.00000   159.97741     1.00014
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=   12.6872910
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9915902
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8365871

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0001029
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000344

:DIS  :  CHARGE DISTANCE       ( 0.0001029 for atom    1 spin 1)      0.0000686
:BIG check (qbig,qrms,qtot)    0.343D-04   0.542D-04   0.686D-04
 
******************************************************
* MULTISECANT MIXING OPTIONS                         *
* NFL Limit   0.100000                               *
* Diag Parm   0.000500                               *
* Standard Increase/Decrease Bounds                  *
* Plane Wave SQRT Dynamic Rescaling                  *
* Max Number of Memory Steps    8                    *
******************************************************
 
:PLANE:  INTERSTITIAL TOTAL      6.61818 DISTAN   0.0000157
:CHARG:  CLM CHARGE   TOTAL      0.97752 DISTAN   0.0000151
:REDuction and DMIX in Broyd:    1.0999    0.2000
:INFO :  Dynamic rescale   0.386D+01
:INFO :  Number of Memory Steps    8 Skipping   20
:INFO :  Reduction   0.5381 Expected   0.0815 Next   0.1246 All   0.5534
:INFO :  Bounds         0.287D+00  0.200D+00  0.803D+00  0.200D+00
:DIRM :  MEMORY 8/8 RESCALE  3.856 RED    0.538 PRED  0.081 NEXT  0.125
:INFO :  DMIXM and Projections     0.200D+00  0.125D+00
:DIRP :  |BROYD|= 0.190D-04 |PRATT|= 0.531D-04 ANGLE=  69.3 DEGREES
:DIRB :  |BROYD|= 0.309D-04 |PRATT|= 0.252D-03 ANGLE=  94.0 DEGREES
       MSEC1 MIXING SCHEME WITH 0.200
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=   12.6872886
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9915906
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8365874

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -12503.712827

       TOTAL FORCE IN mRy/a.u. = |F|     Fx             Fy             Fz        with/without FOR in case.in2
:FOR001:   1.ATOM         12.309          0.000          0.000         12.309 partial forces
:FOR002:   2.ATOM          7.066          0.000          0.000         -7.066 partial forces

       TOTAL FORCE WITH RESPECT TO GLOBAL CARTESIAN COORDINATES:
:FCA001:   1.ATOM                         7.107          7.107          7.107 partial forces
:FCA002:   2.ATOM                        -4.080         -4.080         -4.080 partial forces

       TOTAL FORCE WITH RESPECT TO THE GLOBAL COORDINATE SYSTEM:
:FGL001:   1.ATOM                 7.106604084     7.106604084     7.106604084 partial forces
:FGL002:   2.ATOM                -4.079556784    -4.079556784    -4.079556784 partial forces