DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        6.245825        0.000000    14883.074178    14889.320003
:RTO002:   2        7.327708        0.000000     1886.295125     1893.622833
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=   12.6664884
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9911116
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8366195

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    160.00000   159.97741     1.00014
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=   12.6891486
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9910861
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8366267

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0000394
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000079

:DIS  :  CHARGE DISTANCE       ( 0.0000394 for atom    1 spin 1)      0.0000237
:BIG check (qbig,qrms,qtot)    0.131D-04   0.201D-04   0.237D-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      6.62499 DISTAN   0.0000085
:CHARG:  CLM CHARGE   TOTAL      0.97755 DISTAN   0.0000065
:REDuction and DMIX in Broyd:    1.1000    0.2000
:INFO :  Dynamic rescale   0.277D+01
:INFO :  Number of Memory Steps    8 Skipping   20
:INFO :  Reduction   0.8881 Expected   0.1888 Next   0.1707 All   0.8620
:INFO :  Bounds         0.168D+00  0.200D+00  0.586D+00  0.168D+00
:DIRM :  MEMORY 8/8 RESCALE  2.773 RED    0.888 PRED  0.189 NEXT  0.171
:INFO :  DMIXM and Projections     0.168D+00  0.171D+00
:DIRP :  |BROYD|= 0.252D-04 |PRATT|= 0.174D-04 ANGLE=  26.1 DEGREES
:DIRB :  |BROYD|= 0.963D-04 |PRATT|= 0.910D-04 ANGLE=  47.5 DEGREES
       MSEC1 MIXING SCHEME WITH 0.168
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=   12.6891514
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9910842
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8366280

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -12503.715853

       TOTAL FORCE IN mRy/a.u. = |F|     Fx             Fy             Fz        with/without FOR in case.in2
:FOR001:   1.ATOM         12.002          0.000          0.000         12.002 partial forces
:FOR002:   2.ATOM          7.490          0.000          0.000         -7.490 partial forces

       TOTAL FORCE WITH RESPECT TO GLOBAL CARTESIAN COORDINATES:
:FCA001:   1.ATOM                         6.929          6.929          6.929 partial forces
:FCA002:   2.ATOM                        -4.324         -4.324         -4.324 partial forces

       TOTAL FORCE WITH RESPECT TO THE GLOBAL COORDINATE SYSTEM:
:FGL001:   1.ATOM                 6.929357561     6.929357561     6.929357561 partial forces
:FGL002:   2.ATOM                -4.324353285    -4.324353285    -4.324353285 partial forces