DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1      402.567887        0.000000   485343.564484   485746.132371
:RTO002:   2        5.842288        0.000000    15302.878832    15308.721120
:RTO003:   3       41.037612        0.000000    36570.225896    36611.263508
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    9.2199887
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       53.0689399
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       25.0600043
:NTO003: TOTAL   CHARGE IN SPHERE  3 =       30.7926148

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    174.00000   173.99417     1.00003
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    9.2258078
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       53.0689388
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       25.0600157
:OTO003: TOTAL   CHARGE IN SPHERE  3 =       30.7926110

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    174.00000   174.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0000029
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000113
:DTO003: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  3 =  0.0000066

:DIS  :  CHARGE DISTANCE       ( 0.0000113 for atom    2 spin 1)      0.0000077
:BIG check (qbig,qrms,qtot)    0.376D-05   0.591D-05   0.772D-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     17.11252 DISTAN   0.0000102
:CHARG:  CLM CHARGE   TOTAL      6.83123 DISTAN   0.0000041
:REDuction and DMIX in Broyd:    1.1000    0.2000
:INFO :  Dynamic rescale   0.292D+01
:INFO :  Number of Memory Steps    8 Skipping   90
:INFO :  Reduction   0.5498 Expected   0.4793 Next   0.6731 All   0.4013
:INFO :  Bounds         0.332D+00  0.200D+00  0.149D+00  0.149D+00
:DIRM :  MEMORY 8/8 RESCALE  2.921 RED    0.550 PRED  0.479 NEXT  0.673
:INFO :  DMIXM and Projections     0.149D+00  0.673D+00
:DIRP :  |BROYD|= 0.733D-04 |PRATT|= 0.233D-04 ANGLE=   4.1 DEGREES
:DIRB :  |BROYD|= 0.102D-03 |PRATT|= 0.363D-04 ANGLE=  27.8 DEGREES
       MSEC1 MIXING SCHEME WITH 0.149
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    9.2258082
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       53.0689392
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       25.0600141
:CTO003: TOTAL   CHARGE IN SPHERE  3 =       30.7926122

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    174.00000   174.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -30414.962951

       TOTAL FORCE IN mRy/a.u. = |F|     Fx             Fy             Fz        with/without FOR in case.in2
:FOR001:   1.ATOM          0.000          0.000          0.000          0.000 partial forces
:FOR002:   2.ATOM          0.000          0.000          0.000          0.000 partial forces
:FOR003:   3.ATOM         94.064          0.000          0.000         94.064 partial forces

       TOTAL FORCE WITH RESPECT TO GLOBAL CARTESIAN COORDINATES:
:FCA001:   1.ATOM                         0.000          0.000          0.000 partial forces
:FCA002:   2.ATOM                         0.000          0.000          0.000 partial forces
:FCA003:   3.ATOM                         0.000          0.000         94.064 partial forces

       TOTAL FORCE WITH RESPECT TO THE GLOBAL COORDINATE SYSTEM:
:FGL001:   1.ATOM                 0.000000000     0.000000000     0.000000000 partial forces
:FGL002:   2.ATOM                 0.000000000     0.000000000     0.000000000 partial forces
:FGL003:   3.ATOM                 0.000000000     0.000000000    94.064000000 partial forces