DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        6.246657        0.000000    14883.063473    14889.310131
:RTO002:   2        7.331803        0.000000     1886.294404     1893.626207
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=   12.6631489
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9916940
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8368709

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    160.00000   159.97741     1.00014
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=   12.6854452
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9918210
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8368177

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0001236
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000522

:DIS  :  CHARGE DISTANCE       ( 0.0001236 for atom    1 spin 1)      0.0000879
:BIG check (qbig,qrms,qtot)    0.412D-04   0.671D-04   0.879D-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      6.60432 DISTAN   0.0000140
:CHARG:  CLM CHARGE   TOTAL      0.97746 DISTAN   0.0000167
:REDuction and DMIX in Broyd:    1.0998    0.2000
:INFO :  Dynamic rescale   0.362D+01
:INFO :  Number of Memory Steps    8 Skipping   49
:INFO :  Reduction   0.9228 Expected   0.0235 Next   0.0245 All   0.9314
:INFO :  Bounds         0.121D+00  0.200D+00  0.408D+01  0.121D+00
:DIRM :  MEMORY 8/8 RESCALE  3.621 RED    0.923 PRED  0.023 NEXT  0.025
:INFO :  DMIXM and Projections     0.121D+00  0.245D-01
:DIRP :  |BROYD|= 0.318D-05 |PRATT|= 0.269D-04 ANGLE= 104.4 DEGREES
:DIRB :  |BROYD|= 0.484D-05 |PRATT|= 0.167D-03 ANGLE=  83.0 DEGREES
       MSEC1 MIXING SCHEME WITH 0.121
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=   12.6854462
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9918208
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8368176

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -12503.708016

       TOTAL FORCE IN mRy/a.u. = |F|     Fx             Fy             Fz        with/without FOR in case.in2
:FOR001:   1.ATOM         13.022          0.000          0.000         13.022 partial forces
:FOR002:   2.ATOM          6.194          0.000          0.000         -6.194 partial forces

       TOTAL FORCE WITH RESPECT TO GLOBAL CARTESIAN COORDINATES:
:FCA001:   1.ATOM                         7.518          7.518          7.518 partial forces
:FCA002:   2.ATOM                        -3.576         -3.576         -3.576 partial forces

       TOTAL FORCE WITH RESPECT TO THE GLOBAL COORDINATE SYSTEM:
:FGL001:   1.ATOM                 7.518254804     7.518254804     7.518254804 partial forces
:FGL002:   2.ATOM                -3.576107377    -3.576107377    -3.576107377 partial forces