DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        6.250469        0.000000    14883.083899    14889.334368
:RTO002:   2        7.325317        0.000000     1886.295094     1893.620411
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=   12.6717697
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9894993
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8369133

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    160.00000   159.97742     1.00014
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=   12.6942341
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9895267
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8369148

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0000560
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000046

:DIS  :  CHARGE DISTANCE       ( 0.0000560 for atom    1 spin 1)      0.0000303
:BIG check (qbig,qrms,qtot)    0.187D-04   0.281D-04   0.303D-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      6.63529 DISTAN   0.0000117
:CHARG:  CLM CHARGE   TOTAL      0.97759 DISTAN   0.0000095
:REDuction and DMIX in Broyd:    1.0999    0.2000
:INFO :  Dynamic rescale   0.353D+01
:INFO :  Number of Memory Steps    8 Skipping   20
:INFO :  Reduction   0.9148 Expected   0.0715 Next   0.0233 All   0.8958
:INFO :  Bounds         0.112D+00  0.200D+00  0.428D+01  0.112D+00
:DIRM :  MEMORY 8/8 RESCALE  3.526 RED    0.915 PRED  0.072 NEXT  0.023
:INFO :  DMIXM and Projections     0.112D+00  0.233D-01
:DIRP :  |BROYD|= 0.261D-04 |PRATT|= 0.201D-04 ANGLE=  53.6 DEGREES
:DIRB :  |BROYD|= 0.813D-04 |PRATT|= 0.890D-04 ANGLE=  48.3 DEGREES
       MSEC1 MIXING SCHEME WITH 0.112
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=   12.6942412
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9895258
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8369138

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -12503.724233

       TOTAL FORCE IN mRy/a.u. = |F|     Fx             Fy             Fz        with/without FOR in case.in2
:FOR001:   1.ATOM         11.450          0.000          0.000         11.450 partial forces
:FOR002:   2.ATOM          8.151          0.000          0.000         -8.151 partial forces

       TOTAL FORCE WITH RESPECT TO GLOBAL CARTESIAN COORDINATES:
:FCA001:   1.ATOM                         6.611          6.611          6.611 partial forces
:FCA002:   2.ATOM                        -4.706         -4.706         -4.706 partial forces

       TOTAL FORCE WITH RESPECT TO THE GLOBAL COORDINATE SYSTEM:
:FGL001:   1.ATOM                 6.610660229     6.610660229     6.610660229 partial forces
:FGL002:   2.ATOM                -4.705981793    -4.705981793    -4.705981793 partial forces