DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        5.941843        0.000000    14883.096610    14889.038453
:RTO002:   2       39.201333        0.000000    34991.542911    35030.744244
:RTO003:   3      135.879464        0.000000    59854.076266    59989.955731
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    8.3649168
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       25.0790332
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       30.8135096
:NTO003: TOTAL   CHARGE IN SPHERE  3 =       35.8464932

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    156.00000   155.99650     1.00002
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    8.3689379
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       25.0782683
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       30.8139189
:OTO003: TOTAL   CHARGE IN SPHERE  3 =       35.8466877

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    156.00000   156.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0005377
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0003634
:DTO003: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  3 =  0.0001522

:DIS  :  CHARGE DISTANCE       ( 0.0005377 for atom    1 spin 1)      0.0003909
:BIG check (qbig,qrms,qtot)    0.179D-03   0.294D-03   0.391D-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     13.06989 DISTAN   0.0000928
:CHARG:  CLM CHARGE   TOTAL      5.99874 DISTAN   0.0001314
:REDuction and DMIX in Broyd:    1.0992    0.2000
:INFO :  Dynamic rescale   0.325D+01
:INFO :  Number of Memory Steps    8 Skipping  193
:INFO :  Reduction   0.9641 Expected   0.2960 Next   0.1513 All   0.9625
:INFO :  Bounds         0.706D-01  0.200D+00  0.661D+00  0.706D-01
:DIRM :  MEMORY 8/8 RESCALE  3.251 RED    0.964 PRED  0.296 NEXT  0.151
:INFO :  DMIXM and Projections     0.706D-01  0.151D+00
:DIRP :  |BROYD|= 0.325D-03 |PRATT|= 0.108D-03 ANGLE=  36.7 DEGREES
:DIRB :  |BROYD|= 0.910D-03 |PRATT|= 0.437D-03 ANGLE=  47.5 DEGREES
       MSEC1 MIXING SCHEME WITH 0.071
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    8.3690095
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       25.0783070
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       30.8138507
:CTO003: TOTAL   CHARGE IN SPHERE  3 =       35.8466752

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    156.00000   156.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -20495.916695

       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        115.913          0.000          0.000       -115.913 partial forces
:FOR003:   3.ATOM          0.000          0.000          0.000          0.000 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       -115.913 partial forces
:FCA003:   3.ATOM                         0.000          0.000          0.000 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  -115.913000000 partial forces
:FGL003:   3.ATOM                 0.000000000     0.000000000     0.000000000 partial forces