DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        6.253387        0.000000    14883.086215    14889.339602
:RTO002:   2        7.326170        0.000000     1886.294827     1893.620997
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=   12.6738334
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9885888
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8373079

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    160.00000   159.97742     1.00014
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=   12.6953515
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9889920
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8371701

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0004577
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0001396

:DIS  :  CHARGE DISTANCE       ( 0.0004577 for atom    1 spin 1)      0.0002986
:BIG check (qbig,qrms,qtot)    0.153D-03   0.239D-03   0.299D-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      6.63523 DISTAN   0.0000356
:CHARG:  CLM CHARGE   TOTAL      0.97759 DISTAN   0.0000599
:REDuction and DMIX in Broyd:    1.0994    0.2000
:INFO :  Dynamic rescale   0.428D+01
:INFO :  Number of Memory Steps    8 Skipping   51
:INFO :  Reduction   1.0108 Expected   0.0151 Next   0.0153 All   1.0092
:INFO :  Bounds         0.101D+00  0.200D+00  0.655D+01  0.101D+00
:DIRM :  MEMORY 8/8 RESCALE  4.279 RED    1.011 PRED  0.015 NEXT  0.015
:INFO :  DMIXM and Projections     0.101D+00  0.153D-01
:DIRP :  |BROYD|= 0.149D-05 |PRATT|= 0.672D-04 ANGLE=  69.4 DEGREES
:DIRB :  |BROYD|= 0.275D-05 |PRATT|= 0.497D-03 ANGLE=  80.5 DEGREES
       MSEC1 MIXING SCHEME WITH 0.101
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=   12.6953517
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9889919
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8371701

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -12503.727158

       TOTAL FORCE IN mRy/a.u. = |F|     Fx             Fy             Fz        with/without FOR in case.in2
:FOR001:   1.ATOM         11.512          0.000          0.000         11.512 partial forces
:FOR002:   2.ATOM          8.103          0.000          0.000         -8.103 partial forces

       TOTAL FORCE WITH RESPECT TO GLOBAL CARTESIAN COORDINATES:
:FCA001:   1.ATOM                         6.646          6.646          6.646 partial forces
:FCA002:   2.ATOM                        -4.678         -4.678         -4.678 partial forces

       TOTAL FORCE WITH RESPECT TO THE GLOBAL COORDINATE SYSTEM:
:FGL001:   1.ATOM                 6.646455944     6.646455944     6.646455944 partial forces
:FGL002:   2.ATOM                -4.678268982    -4.678268982    -4.678268982 partial forces