DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        5.291703        0.000000    14883.001414    14888.293117
:RTO002:   2       54.542009        0.000000    39112.388255    39166.930264
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    6.5241443
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       25.1422271
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       31.5943261

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    120.00000   119.99725     1.00002
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    6.5268953
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       25.1422305
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       31.5943219

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    120.00000   120.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0000586
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000575

:DIS  :  CHARGE DISTANCE       ( 0.0000586 for atom    1 spin 1)      0.0000581
:BIG check (qbig,qrms,qtot)    0.195D-04   0.411D-04   0.581D-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      8.77829 DISTAN   0.0000225
:CHARG:  CLM CHARGE   TOTAL      3.20697 DISTAN   0.0000173
:REDuction and DMIX in Broyd:    1.0999    0.2000
:INFO :  Dynamic rescale   0.401D+01
:INFO :  Number of Memory Steps    8 Skipping   17
:INFO :  Reduction   0.7266 Expected   0.8225 Next   0.3316 All   0.6966
:INFO :  Bounds         0.175D+00  0.200D+00  0.302D+00  0.175D+00
:DIRM :  MEMORY 8/8 RESCALE  4.014 RED    0.727 PRED  0.822 NEXT  0.332
:INFO :  DMIXM and Projections     0.175D+00  0.332D+00
:DIRP :  |BROYD|= 0.374D-03 |PRATT|= 0.906D-04 ANGLE=  14.4 DEGREES
:DIRB :  |BROYD|= 0.789D-03 |PRATT|= 0.201D-03 ANGLE=  24.0 DEGREES
       MSEC1 MIXING SCHEME WITH 0.175
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    6.5269188
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       25.1422310
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       31.5943097

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    120.00000   120.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -14812.209964

       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        208.150          0.000          0.000        208.150 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        208.150 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   208.150000000 partial forces