DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        5.200211        0.000000    14883.015750    14888.215961
:RTO002:   2      114.839267        0.000000   226135.583938   226250.423205
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    7.2878377
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       25.3727239
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       48.9804705

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    156.00000   155.99423     1.00004
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    7.2936024
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       25.3727211
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       48.9804777

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    156.00000   156.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0000106
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000106

:DIS  :  CHARGE DISTANCE       ( 0.0000106 for atom    2 spin 1)      0.0000106
:BIG check (qbig,qrms,qtot)    0.355D-05   0.751D-05   0.106D-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      7.35597 DISTAN   0.0000029
:CHARG:  CLM CHARGE   TOTAL      4.78589 DISTAN   0.0000026
:REDuction and DMIX in Broyd:    1.1000    0.2000
:INFO :  Dynamic rescale   0.339D+01
:INFO :  Number of Memory Steps    8 Skipping   34
:INFO :  Reduction   0.3278 Expected   0.3192 Next   0.6302 All   0.2865
:INFO :  Bounds         0.400D+00  0.200D+00  0.159D+00  0.159D+00
:DIRM :  MEMORY 8/8 RESCALE  3.385 RED    0.328 PRED  0.319 NEXT  0.630
:INFO :  DMIXM and Projections     0.159D+00  0.630D+00
:DIRP :  |BROYD|= 0.375D-04 |PRATT|= 0.971D-05 ANGLE=  23.0 DEGREES
:DIRB :  |BROYD|= 0.124D-03 |PRATT|= 0.267D-04 ANGLE=  33.0 DEGREES
       MSEC1 MIXING SCHEME WITH 0.159
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    7.2936092
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       25.3727220
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       48.9804734

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    156.00000   156.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -32278.797498

       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        145.352          0.000          0.000       -145.352 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       -145.352 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  -145.352000000 partial forces