DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        6.249727        0.000000    14883.083037    14889.332765
:RTO002:   2        7.325649        0.000000     1886.295139     1893.620788
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=   12.6709328
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9897681
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8368535

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    160.00000   159.97742     1.00014
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=   12.6934811
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9897688
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8368609

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0000133
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000071

:DIS  :  CHARGE DISTANCE       ( 0.0000133 for atom    1 spin 1)      0.0000102
:BIG check (qbig,qrms,qtot)    0.444D-05   0.755D-05   0.102D-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      6.63433 DISTAN   0.0000268
:CHARG:  CLM CHARGE   TOTAL      0.97759 DISTAN   0.0000165
:REDuction and DMIX in Broyd:    1.1000    0.2000
:INFO :  Dynamic rescale   0.297D+01
:INFO :  Number of Memory Steps    8 Skipping   20
:INFO :  Reduction   1.0055 Expected   0.0149 Next   0.0194 All   1.0042
:INFO :  Bounds         0.671D-01  0.200D+00  0.516D+01  0.671D-01
:DIRM :  MEMORY 8/8 RESCALE  2.970 RED    1.005 PRED  0.015 NEXT  0.019
:INFO :  DMIXM and Projections     0.671D-01  0.194D-01
:DIRP :  |BROYD|= 0.281D-05 |PRATT|= 0.233D-04 ANGLE=  82.6 DEGREES
:DIRB :  |BROYD|= 0.610D-05 |PRATT|= 0.931D-04 ANGLE= 100.6 DEGREES
       MSEC1 MIXING SCHEME WITH 0.067
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=   12.6934803
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9897688
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8368611

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -12503.724220

       TOTAL FORCE IN mRy/a.u. = |F|     Fx             Fy             Fz        with/without FOR in case.in2
:FOR001:   1.ATOM         11.541          0.000          0.000         11.541 partial forces
:FOR002:   2.ATOM          8.044          0.000          0.000         -8.044 partial forces

       TOTAL FORCE WITH RESPECT TO GLOBAL CARTESIAN COORDINATES:
:FCA001:   1.ATOM                         6.663          6.663          6.663 partial forces
:FCA002:   2.ATOM                        -4.644         -4.644         -4.644 partial forces

       TOTAL FORCE WITH RESPECT TO THE GLOBAL COORDINATE SYSTEM:
:FGL001:   1.ATOM                 6.663199101     6.663199101     6.663199101 partial forces
:FGL002:   2.ATOM                -4.644205318    -4.644205318    -4.644205318 partial forces