DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        6.248503        0.000000    14883.080844    14889.329347
:RTO002:   2        7.326344        0.000000     1886.295113     1893.621457
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=   12.6699399
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9900479
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8368215

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    160.00000   159.97742     1.00014
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=   12.6920564
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9901885
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8367974

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0002072
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000286

:DIS  :  CHARGE DISTANCE       ( 0.0002072 for atom    1 spin 1)      0.0001179
:BIG check (qbig,qrms,qtot)    0.691D-04   0.105D-03   0.118D-03
 
******************************************************
* 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      6.63129 DISTAN   0.0000299
:CHARG:  CLM CHARGE   TOTAL      0.97758 DISTAN   0.0000284
:REDuction and DMIX in Broyd:    1.0998    0.2000
:INFO :  Dynamic rescale   0.324D+01
:INFO :  Number of Memory Steps    8 Skipping   49
:INFO :  Reduction   1.0046 Expected   0.0671 Next   0.0672 All   0.9989
:INFO :  Bounds         0.587D-01  0.200D+00  0.149D+01  0.587D-01
:DIRM :  MEMORY 8/8 RESCALE  3.241 RED    1.005 PRED  0.067 NEXT  0.067
:INFO :  DMIXM and Projections     0.587D-01  0.672D-01
:DIRP :  |BROYD|= 0.159D-05 |PRATT|= 0.249D-04 ANGLE= 104.0 DEGREES
:DIRB :  |BROYD|= 0.215D-05 |PRATT|= 0.138D-03 ANGLE=  91.6 DEGREES
       MSEC1 MIXING SCHEME WITH 0.059
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=   12.6920570
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9901886
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8367974

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -12503.721138

       TOTAL FORCE IN mRy/a.u. = |F|     Fx             Fy             Fz        with/without FOR in case.in2
:FOR001:   1.ATOM         11.708          0.000          0.000         11.708 partial forces
:FOR002:   2.ATOM          7.868          0.000          0.000         -7.868 partial forces

       TOTAL FORCE WITH RESPECT TO GLOBAL CARTESIAN COORDINATES:
:FCA001:   1.ATOM                         6.760          6.760          6.760 partial forces
:FCA002:   2.ATOM                        -4.543         -4.543         -4.543 partial forces

       TOTAL FORCE WITH RESPECT TO THE GLOBAL COORDINATE SYSTEM:
:FGL001:   1.ATOM                 6.759616591     6.759616591     6.759616591 partial forces
:FGL002:   2.ATOM                -4.542591676    -4.542591676    -4.542591676 partial forces