DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        6.245766        0.000000    14883.061914    14889.307680
:RTO002:   2        7.331891        0.000000     1886.294626     1893.626517
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=   12.6622086
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9920407
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8367593

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    160.00000   159.97741     1.00014
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=   12.6849856
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9920019
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8367517

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0000913
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000191

:DIS  :  CHARGE DISTANCE       ( 0.0000913 for atom    1 spin 1)      0.0000552
:BIG check (qbig,qrms,qtot)    0.304D-04   0.466D-04   0.552D-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      6.60435 DISTAN   0.0000267
:CHARG:  CLM CHARGE   TOTAL      0.97746 DISTAN   0.0000123
:REDuction and DMIX in Broyd:    1.0999    0.2000
:INFO :  Dynamic rescale   0.363D+01
:INFO :  Number of Memory Steps    8 Skipping   21
:INFO :  Reduction   0.6838 Expected   0.5403 Next   0.4749 All   0.5147
:INFO :  Bounds         0.962D-01  0.200D+00  0.211D+00  0.962D-01
:DIRM :  MEMORY 8/8 RESCALE  3.626 RED    0.684 PRED  0.540 NEXT  0.475
:INFO :  DMIXM and Projections     0.962D-01  0.475D+00
:DIRP :  |BROYD|= 0.256D-03 |PRATT|= 0.407D-04 ANGLE=  35.7 DEGREES
:DIRB :  |BROYD|= 0.860D-03 |PRATT|= 0.105D-03 ANGLE=  41.2 DEGREES
       MSEC1 MIXING SCHEME WITH 0.096
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=   12.6848464
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9920243
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8367643

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -12503.706058

       TOTAL FORCE IN mRy/a.u. = |F|     Fx             Fy             Fz        with/without FOR in case.in2
:FOR001:   1.ATOM         12.973          0.000          0.000         12.973 partial forces
:FOR002:   2.ATOM          6.221          0.000          0.000         -6.221 partial forces

       TOTAL FORCE WITH RESPECT TO GLOBAL CARTESIAN COORDINATES:
:FCA001:   1.ATOM                         7.490          7.490          7.490 partial forces
:FCA002:   2.ATOM                        -3.592         -3.592         -3.592 partial forces

       TOTAL FORCE WITH RESPECT TO THE GLOBAL COORDINATE SYSTEM:
:FGL001:   1.ATOM                 7.489964642     7.489964642     7.489964642 partial forces
:FGL002:   2.ATOM                -3.591695833    -3.591695833    -3.591695833 partial forces