DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        6.251469        0.000000    14883.088294    14889.339762
:RTO002:   2        7.325299        0.000000     1886.295078     1893.620377
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=   12.6722837
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9893241
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8369602

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    160.00000   159.97742     1.00014
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=   12.6952318
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9892103
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8369818

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0002834
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000301

:DIS  :  CHARGE DISTANCE       ( 0.0002834 for atom    1 spin 1)      0.0001567
:BIG check (qbig,qrms,qtot)    0.945D-04   0.142D-03   0.157D-03
 
******************************************************
* 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      6.63584 DISTAN   0.0000296
:CHARG:  CLM CHARGE   TOTAL      0.97760 DISTAN   0.0000403
:REDuction and DMIX in Broyd:    1.0997    0.2000
:INFO :  Dynamic rescale   0.335D+01
:INFO :  Number of Memory Steps    8 Skipping   21
:INFO :  Reduction   1.1523 Expected   0.3641 Next   0.1705 All   1.4362
:INFO :  Bounds         0.589D-01  0.200D+00  0.587D+00  0.589D-01
:DIRM :  MEMORY 8/8 RESCALE  3.349 RED    1.152 PRED  0.364 NEXT  0.170
:INFO :  DMIXM and Projections     0.589D-01  0.170D+00
:DIRP :  |BROYD|= 0.173D-03 |PRATT|= 0.255D-04 ANGLE=  51.2 DEGREES
:DIRB :  |BROYD|= 0.663D-03 |PRATT|= 0.195D-03 ANGLE=  63.8 DEGREES
       MSEC1 MIXING SCHEME WITH 0.059
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=   12.6951758
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9892186
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8369874

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -12503.724274

       TOTAL FORCE IN mRy/a.u. = |F|     Fx             Fy             Fz        with/without FOR in case.in2
:FOR001:   1.ATOM         11.662          0.000          0.000         11.662 partial forces
:FOR002:   2.ATOM          8.195          0.000          0.000         -8.195 partial forces

       TOTAL FORCE WITH RESPECT TO GLOBAL CARTESIAN COORDINATES:
:FCA001:   1.ATOM                         6.733          6.733          6.733 partial forces
:FCA002:   2.ATOM                        -4.731         -4.731         -4.731 partial forces

       TOTAL FORCE WITH RESPECT TO THE GLOBAL COORDINATE SYSTEM:
:FGL001:   1.ATOM                 6.733058480     6.733058480     6.733058480 partial forces
:FGL002:   2.ATOM                -4.731385204    -4.731385204    -4.731385204 partial forces