DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        6.249133        0.000000    14883.081418    14889.330551
:RTO002:   2        7.326370        0.000000     1886.295082     1893.621453
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=   12.6699475
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9900318
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8368359

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    160.00000   159.97742     1.00014
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=   12.6925620
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9900227
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8368368

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0000153
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000028

:DIS  :  CHARGE DISTANCE       ( 0.0000153 for atom    1 spin 1)      0.0000090
:BIG check (qbig,qrms,qtot)    0.510D-05   0.778D-05   0.904D-05
 
******************************************************
* 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      6.63146 DISTAN   0.0000083
:CHARG:  CLM CHARGE   TOTAL      0.97758 DISTAN   0.0000051
:REDuction and DMIX in Broyd:    1.1000    0.2000
:INFO :  Dynamic rescale   0.318D+01
:INFO :  Number of Memory Steps    8 Skipping   21
:INFO :  Reduction   0.7417 Expected   0.3690 Next   0.2050 All   0.8515
:INFO :  Bounds         0.219D+00  0.200D+00  0.488D+00  0.200D+00
:DIRM :  MEMORY 8/8 RESCALE  3.175 RED    0.742 PRED  0.369 NEXT  0.205
:INFO :  DMIXM and Projections     0.200D+00  0.205D+00
:DIRP :  |BROYD|= 0.325D-04 |PRATT|= 0.230D-04 ANGLE=  53.1 DEGREES
:DIRB :  |BROYD|= 0.829D-04 |PRATT|= 0.857D-04 ANGLE=  56.2 DEGREES
       MSEC1 MIXING SCHEME WITH 0.200
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=   12.6925435
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9900271
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8368368

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -12503.719186

       TOTAL FORCE IN mRy/a.u. = |F|     Fx             Fy             Fz        with/without FOR in case.in2
:FOR001:   1.ATOM         11.667          0.000          0.000         11.667 partial forces
:FOR002:   2.ATOM          7.897          0.000          0.000         -7.897 partial forces

       TOTAL FORCE WITH RESPECT TO GLOBAL CARTESIAN COORDINATES:
:FCA001:   1.ATOM                         6.736          6.736          6.736 partial forces
:FCA002:   2.ATOM                        -4.559         -4.559         -4.559 partial forces

       TOTAL FORCE WITH RESPECT TO THE GLOBAL COORDINATE SYSTEM:
:FGL001:   1.ATOM                 6.735945231     6.735945231     6.735945231 partial forces
:FGL002:   2.ATOM                -4.559334832    -4.559334832    -4.559334832 partial forces