DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        6.251352        0.000000    14883.087587    14889.338939
:RTO002:   2        7.324297        0.000000     1886.295066     1893.619362
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=   12.6718542
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9896349
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8367569

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    160.00000   159.97742     1.00014
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=   12.6955251
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9890919
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8370268

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0004794
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0002617

:DIS  :  CHARGE DISTANCE       ( 0.0004794 for atom    1 spin 1)      0.0003706
:BIG check (qbig,qrms,qtot)    0.160D-03   0.273D-03   0.371D-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      6.63685 DISTAN   0.0000791
:CHARG:  CLM CHARGE   TOTAL      0.97760 DISTAN   0.0000659
:REDuction and DMIX in Broyd:    1.0993    0.2000
:INFO :  Dynamic rescale   0.447D+01
:INFO :  Number of Memory Steps    8 Skipping   39
:INFO :  Reduction   1.0328 Expected   0.0276 Next   0.0247 All   1.0287
:INFO :  Bounds         0.136D+00  0.200D+00  0.405D+01  0.136D+00
:DIRM :  MEMORY 8/8 RESCALE  4.467 RED    1.033 PRED  0.028 NEXT  0.025
:INFO :  DMIXM and Projections     0.136D+00  0.247D-01
:DIRP :  |BROYD|= 0.125D-04 |PRATT|= 0.210D-03 ANGLE=  91.0 DEGREES
:DIRB :  |BROYD|= 0.227D-04 |PRATT|= 0.760D-03 ANGLE=  96.2 DEGREES
       MSEC1 MIXING SCHEME WITH 0.136
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=   12.6955324
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9890902
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8370267

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -12503.726211

       TOTAL FORCE IN mRy/a.u. = |F|     Fx             Fy             Fz        with/without FOR in case.in2
:FOR001:   1.ATOM         11.324          0.000          0.000         11.324 partial forces
:FOR002:   2.ATOM          8.200          0.000          0.000         -8.200 partial forces

       TOTAL FORCE WITH RESPECT TO GLOBAL CARTESIAN COORDINATES:
:FCA001:   1.ATOM                         6.538          6.538          6.538 partial forces
:FCA002:   2.ATOM                        -4.734         -4.734         -4.734 partial forces

       TOTAL FORCE WITH RESPECT TO THE GLOBAL COORDINATE SYSTEM:
:FGL001:   1.ATOM                 6.537914099     6.537914099     6.537914099 partial forces
:FGL002:   2.ATOM                -4.734271955    -4.734271955    -4.734271955 partial forces