DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        5.849315        0.000000    14883.088254    14888.937569
:RTO002:   2      114.715720        0.000000   226135.410838   226250.126558
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    7.3992280
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       25.2728090
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       49.0246949

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    156.00000   155.99424     1.00004
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    7.4049578
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       25.2727389
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       49.0247822

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    156.00000   156.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0001775
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0001339

:DIS  :  CHARGE DISTANCE       ( 0.0001775 for atom    1 spin 1)      0.0001557
:BIG check (qbig,qrms,qtot)    0.592D-04   0.111D-03   0.156D-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      7.37416 DISTAN   0.0000991
:CHARG:  CLM CHARGE   TOTAL      4.78513 DISTAN   0.0000558
:REDuction and DMIX in Broyd:    1.0997    0.2000
:INFO :  Dynamic rescale   0.373D+01
:INFO :  Number of Memory Steps    8 Skipping  349
:INFO :  Reduction   0.5288 Expected   0.3005 Next   0.9751 All   0.2663
:INFO :  Bounds         0.151D+00  0.200D+00  0.103D+00  0.103D+00
:DIRM :  MEMORY 8/8 RESCALE  3.735 RED    0.529 PRED  0.300 NEXT  0.975
:INFO :  DMIXM and Projections     0.103D+00  0.975D+00
:DIRP :  |BROYD|= 0.194D-03 |PRATT|= 0.236D-03 ANGLE=  44.2 DEGREES
:DIRB :  |BROYD|= 0.532D-03 |PRATT|= 0.414D-03 ANGLE=  40.2 DEGREES
       MSEC1 MIXING SCHEME WITH 0.103
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    7.4049490
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       25.2727564
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       49.0247692

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    156.00000   156.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -32279.272997

       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         50.438          0.000          0.000        -50.438 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        -50.438 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   -50.438000000 partial forces