DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        5.838887        0.000000    14883.121685    14888.960572
:RTO002:   2       39.080283        0.000000    34991.584689    35030.664972
:RTO003:   3       50.243711        0.000000      823.005028      873.248739
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    7.5774574
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       25.1070033
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       30.8478972
:NTO003: TOTAL   CHARGE IN SPHERE  3 =       10.2548699

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    140.00000   139.99700     1.00002
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    7.5803874
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       25.1070098
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       30.8479305
:OTO003: TOTAL   CHARGE IN SPHERE  3 =       10.2548660

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    140.00000   140.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0000281
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000335
:DTO003: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  3 =  0.0000109

:DIS  :  CHARGE DISTANCE       ( 0.0000335 for atom    2 spin 1)      0.0000242
:BIG check (qbig,qrms,qtot)    0.112D-04   0.184D-04   0.242D-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      8.00413 DISTAN   0.0000117
:CHARG:  CLM CHARGE   TOTAL      3.38456 DISTAN   0.0000103
:REDuction and DMIX in Broyd:    1.1000    0.2000
:INFO :  Dynamic rescale   0.482D+01
:INFO :  Number of Memory Steps    8 Skipping  487
:INFO :  Reduction   0.1275 Expected   0.0686 Next   0.9619 All   0.0645
:INFO :  Bounds         0.124D+00  0.200D+00  0.104D+00  0.104D+00
:DIRM :  MEMORY 8/8 RESCALE  4.819 RED    0.128 PRED  0.069 NEXT  0.962
:INFO :  DMIXM and Projections     0.104D+00  0.962D+00
:DIRP :  |BROYD|= 0.290D-04 |PRATT|= 0.266D-04 ANGLE=  16.6 DEGREES
:DIRB :  |BROYD|= 0.680D-04 |PRATT|= 0.592D-04 ANGLE=  16.4 DEGREES
       MSEC1 MIXING SCHEME WITH 0.104
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    7.5803954
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       25.1070093
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       30.8479263
:CTO003: TOTAL   CHARGE IN SPHERE  3 =       10.2548667

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    140.00000   140.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -14785.896792

       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        117.790          0.000          0.000       -117.790 partial forces
:FOR003:   3.ATOM         97.921          0.000          0.000        -97.921 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       -117.790 partial forces
:FCA003:   3.ATOM                         0.000          0.000        -97.921 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  -117.790000000 partial forces
:FGL003:   3.ATOM                 0.000000000     0.000000000   -97.921000000 partial forces