DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1      465.376989        0.000000   139190.906215   139656.283204
:RTO002:   2        7.297098        0.000000     1886.339650     1893.636748
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=   13.7965861
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       42.4696730
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       12.0788307

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    232.00000   231.99060     1.00004
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=   13.8059843
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       42.4696712
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       12.0788327

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    232.00000   232.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0000057
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000018

:DIS  :  CHARGE DISTANCE       ( 0.0000057 for atom    1 spin 1)      0.0000037
:BIG check (qbig,qrms,qtot)    0.189D-05   0.298D-05   0.374D-05
 
******************************************************
* 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     10.41829 DISTAN   0.0000042
:CHARG:  CLM CHARGE   TOTAL      1.47167 DISTAN   0.0000006
:REDuction and DMIX in Broyd:    1.1000    0.2000
:INFO :  Dynamic rescale   0.153D+01
:INFO :  Number of Memory Steps    2 Skipping    0
:INFO :  Reduction   0.9518 Expected   0.9971 Next   0.7029 All   0.9482
:INFO :  Bounds         0.270D-01  0.200D+00  0.142D+00  0.270D-01
:DIRM :  MEMORY 2/8 RESCALE  1.526 RED    0.952 PRED  0.997 NEXT  0.703
:INFO :  DMIXM and Projections     0.270D-01  0.703D+00
:DIRP :  |BROYD|= 0.129D-04 |PRATT|= 0.819D-06 ANGLE=   2.9 DEGREES
:DIRB :  |BROYD|= 0.229D-04 |PRATT|= 0.149D-05 ANGLE=   2.1 DEGREES
       MSEC1 MIXING SCHEME WITH 0.027
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=   13.8059844
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       42.4696720
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       12.0788319

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    232.00000   232.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -38575.518228

       TOTAL FORCE IN mRy/a.u. = |F|     Fx             Fy             Fz        with/without FOR in case.in2
:FOR001:   1.ATOM         15.552          0.000          0.000         15.552 partial forces
:FOR002:   2.ATOM          7.679          0.000          0.000          7.679 partial forces

       TOTAL FORCE WITH RESPECT TO GLOBAL CARTESIAN COORDINATES:
:FCA001:   1.ATOM                         8.979          8.979          8.979 partial forces
:FCA002:   2.ATOM                         4.433          4.433          4.433 partial forces

       TOTAL FORCE WITH RESPECT TO THE GLOBAL COORDINATE SYSTEM:
:FGL001:   1.ATOM                 8.978950907     8.978950907     8.978950907 partial forces
:FGL002:   2.ATOM                 4.433472481     4.433472481     4.433472481 partial forces