DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        6.251337        0.000000    14883.084754    14889.336090
:RTO002:   2        7.325237        0.000000     1886.295201     1893.620438
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=   12.6720899
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9880160
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8369409

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    160.00000   159.97192     1.00018
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=   12.6955548
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9892159
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8368954

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0009704
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000421

:DIS  :  CHARGE DISTANCE       ( 0.0009704 for atom    1 spin 1)      0.0005063
:BIG check (qbig,qrms,qtot)    0.323D-03   0.486D-03   0.506D-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      6.63655 DISTAN   0.0001213
:CHARG:  CLM CHARGE   TOTAL      0.97760 DISTAN   0.0001214
:REDuction and DMIX in Broyd:    1.0990    0.2000
:INFO :  Dynamic rescale   0.403D+01
:INFO :  Number of Memory Steps    8 Skipping   11
:INFO :  Reduction   0.8806 Expected   0.0360 Next   0.0299 All   0.8806
:INFO :  Bounds         0.945D-01  0.200D+00  0.335D+01  0.945D-01
:DIRM :  MEMORY 8/8 RESCALE  4.027 RED    0.881 PRED  0.036 NEXT  0.030
:INFO :  DMIXM and Projections     0.945D-01  0.299D-01
:DIRP :  |BROYD|= 0.144D-03 |PRATT|= 0.202D-03 ANGLE=  46.0 DEGREES
:DIRB :  |BROYD|= 0.319D-03 |PRATT|= 0.956D-03 ANGLE=  58.9 DEGREES
       MSEC1 MIXING SCHEME WITH 0.094
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=   12.6957410
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9891825
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8368822

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -12503.729368

       TOTAL FORCE IN mRy/a.u. = |F|     Fx             Fy             Fz        with/without FOR in case.in2
:FOR001:   1.ATOM         11.429          0.000          0.000         11.429 partial forces
:FOR002:   2.ATOM          8.172          0.000          0.000         -8.172 partial forces

       TOTAL FORCE WITH RESPECT TO GLOBAL CARTESIAN COORDINATES:
:FCA001:   1.ATOM                         6.599          6.599          6.599 partial forces
:FCA002:   2.ATOM                        -4.718         -4.718         -4.718 partial forces

       TOTAL FORCE WITH RESPECT TO THE GLOBAL COORDINATE SYSTEM:
:FGL001:   1.ATOM                 6.598535874     6.598535874     6.598535874 partial forces
:FGL002:   2.ATOM                -4.718106148    -4.718106148    -4.718106148 partial forces