DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        5.799688        0.000000    14883.086588    14888.886276
:RTO002:   2       54.277140        0.000000    39112.308943    39166.586083
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    6.6144038
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       25.0487541
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       31.6426925

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    120.00000   119.99730     1.00002
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    6.6168117
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       25.0484568
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       31.6431374

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    120.00000   120.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0002379
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0003593

:DIS  :  CHARGE DISTANCE       ( 0.0003593 for atom    2 spin 1)      0.0002986
:BIG check (qbig,qrms,qtot)    0.120D-03   0.215D-03   0.299D-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                    *
******************************************************
 
:MVORD  NCoefficients    1 L1 Change   0.000000D+00 %   0.0000D+00 Scale   0.250D-01
:PLANE:  INTERSTITIAL TOTAL      8.77617 DISTAN  0.143D-02 % 
:CHARG:  CLM CHARGE   TOTAL      3.20608 DISTAN  0.313D-02 % 
:REDuction and DMIX in Broyd:    1.0994    0.2000
:INFO : Block   1  0.240D+01
:INFO : Block   2  0.766D+00
:INFO : Block   3  0.944D+00
:INFO :  Dynamic rescale   0.343D+01
:INFO :  Number of Memory Steps    8 Skipping  482
:INFO :  Reduction   0.7490 Expected   0.6932 Next   0.9899 All   0.6107
:INFO :  Bounds         0.987D-01  0.200D+00  0.101D+00  0.987D-01
:DIRM :  MEMORY 8/8 RESCALE  3.433 RED  0.749 PRED  0.693 NEXT  0.990
:INFO :  DMIXM and Projections     0.987D-01  0.990D+00
:DIRP :  |BROYD|= 0.224D-03 |PRATT|= 0.245D-03 ANGLE=  49.5 DEGREES
:DIRB :  |BROYD|= 0.770D-03 |PRATT|= 0.636D-03 ANGLE=  35.6 DEGREES
       MSEC1 MIXING SCHEME WITH 0.099
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    6.6168403
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       25.0484925
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       31.6430874

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    120.00000   120.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -14812.614887

       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        367.726          0.000          0.000        367.726 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        367.726 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   367.726000000 partial forces