DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        5.853865        0.000000    14883.100626    14888.954491
:RTO002:   2      114.704051        0.000000   226135.405262   226250.109313
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    7.4008982
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       25.2718179
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       49.0248513

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    156.00000   155.99424     1.00004
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    7.4065513
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       25.2718481
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       49.0248762

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    156.00000   156.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0000796
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000622

:DIS  :  CHARGE DISTANCE       ( 0.0000796 for atom    1 spin 1)      0.0000709
:BIG check (qbig,qrms,qtot)    0.265D-04   0.505D-04   0.709D-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      7.37649 DISTAN   0.0000277
:CHARG:  CLM CHARGE   TOTAL      4.78514 DISTAN   0.0000249
:REDuction and DMIX in Broyd:    1.0999    0.2000
:INFO :  Dynamic rescale   0.474D+01
:INFO :  Number of Memory Steps    8 Skipping  484
:INFO :  Reduction   0.2902 Expected   0.1587 Next   0.9723 All   0.1413
:INFO :  Bounds         0.158D+00  0.200D+00  0.103D+00  0.103D+00
:DIRM :  MEMORY 8/8 RESCALE  4.741 RED    0.290 PRED  0.159 NEXT  0.972
:INFO :  DMIXM and Projections     0.103D+00  0.972D+00
:DIRP :  |BROYD|= 0.106D-03 |PRATT|= 0.841D-04 ANGLE=  15.2 DEGREES
:DIRB :  |BROYD|= 0.256D-03 |PRATT|= 0.174D-03 ANGLE=  31.6 DEGREES
       MSEC1 MIXING SCHEME WITH 0.103
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    7.4065624
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       25.2718435
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       49.0248753

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    156.00000   156.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -32279.275031

       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         48.818          0.000          0.000        -48.818 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        -48.818 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   -48.818000000 partial forces