DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1     3509.671069        0.000000  7235107.928188  7238617.599257
:RTO002:   2      363.216164        0.000000   108207.120403   108570.336568
:RTO003:   3        7.416222        0.000000     1886.237620     1893.653842
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=   10.4215784
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       88.5101384
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       42.3961366
:NTO003: TOTAL   CHARGE IN SPHERE  3 =       12.1342059

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    208.00000   207.99240     1.00004
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=   10.4629699
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       88.4053073
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       42.4259312
:OTO003: TOTAL   CHARGE IN SPHERE  3 =       12.1399303

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    208.00000   208.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0836328
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0224276
:DTO003: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  3 =  0.0056345

:DIS  :  CHARGE DISTANCE       ( 0.0836328 for atom    1 spin 1)      0.0279514
:BIG check (qbig,qrms,qtot)    0.279D-01   0.284D-01   0.280D-01
 
******************************************************
* 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     12.25028 DISTAN   0.0016352
:CHARG:  CLM CHARGE   TOTAL     13.40257 DISTAN   0.0160422
:REDuction and DMIX in Broyd:    1.0448    0.2000
:INFO :  Dynamic rescale   0.933D+01
:INFO :  Number of Memory Steps    8 Skipping    9
:INFO :  Reduction   1.0155 Expected   0.0150 Next   0.0161 All   1.0127
:INFO :  Bounds         0.913D-01  0.200D+00  0.621D+01  0.913D-01
:DIRM :  MEMORY 8/8 RESCALE  9.332 RED    1.016 PRED  0.015 NEXT  0.016
:INFO :  DMIXM and Projections     0.913D-01  0.161D-01
:DIRP :  |BROYD|= 0.848D-03 |PRATT|= 0.653D-02 ANGLE= 106.2 DEGREES
:DIRB :  |BROYD|= 0.316D-02 |PRATT|= 0.672D-01 ANGLE= 110.1 DEGREES
       MSEC1 MIXING SCHEME WITH 0.091
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=   10.4629088
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       88.4051409
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       42.4260128
:CTO003: TOTAL   CHARGE IN SPHERE  3 =       12.1399623

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    208.00000   208.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -75487.182409

       TOTAL FORCE IN mRy/a.u. = |F|     Fx             Fy             Fz        with/without FOR in case.in2
:FOR001:   1.ATOM          0.000          0.000          0.000          0.000 partial forces
:FOR002:   2.ATOM          0.000          0.000          0.000          0.000 partial forces
:FOR003:   3.ATOM          2.897          0.000          0.000         -2.897 partial forces

       TOTAL FORCE WITH RESPECT TO GLOBAL CARTESIAN COORDINATES:
:FCA001:   1.ATOM                         0.000          0.000          0.000 partial forces
:FCA002:   2.ATOM                         0.000          0.000          0.000 partial forces
:FCA003:   3.ATOM                         0.000          0.000         -2.897 partial forces

       TOTAL FORCE WITH RESPECT TO THE GLOBAL COORDINATE SYSTEM:
:FGL001:   1.ATOM                 0.000000000     0.000000000     0.000000000 partial forces
:FGL002:   2.ATOM                 0.000000000     0.000000000     0.000000000 partial forces
:FGL003:   3.ATOM                 0.000000000     0.000000000    -2.897000000 partial forces