DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        6.058818        0.000000    14883.179314    14889.238132
:RTO002:   2       27.390379        0.000000    31233.449167    31260.839546
:RTO003:   3       71.055820        0.000000     1081.934110     1152.989931
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    7.5244055
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       25.2345637
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       30.1230614
:NTO003: TOTAL   CHARGE IN SPHERE  3 =       10.8783068

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    140.00000   139.99627     1.00003
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    7.5280554
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       25.2345486
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       30.1230313
:OTO003: TOTAL   CHARGE IN SPHERE  3 =       10.8783924

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    140.00000   140.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0008235
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000263
:DTO003: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  3 =  0.0000888

:DIS  :  CHARGE DISTANCE       ( 0.0008235 for atom    1 spin 1)      0.0003129
:BIG check (qbig,qrms,qtot)    0.274D-03   0.338D-03   0.313D-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      5.42149 DISTAN   0.0000328
:CHARG:  CLM CHARGE   TOTAL      3.35144 DISTAN   0.0001772
:REDuction and DMIX in Broyd:    1.0993    0.2000
:INFO :  Dynamic rescale   0.570D+01
:INFO :  Number of Memory Steps    8 Skipping  488
:INFO :  Reduction   0.4249 Expected   0.1855 Next   0.2297 All   0.5353
:INFO :  Bounds         0.110D+00  0.200D+00  0.435D+00  0.110D+00
:DIRM :  MEMORY 8/8 RESCALE  5.697 RED    0.425 PRED  0.186 NEXT  0.230
:INFO :  DMIXM and Projections     0.110D+00  0.230D+00
:DIRP :  |BROYD|= 0.278D-03 |PRATT|= 0.876D-04 ANGLE=  61.4 DEGREES
:DIRB :  |BROYD|= 0.210D-02 |PRATT|= 0.965D-03 ANGLE= 125.2 DEGREES
       MSEC1 MIXING SCHEME WITH 0.110
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    7.5280896
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       25.2345461
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       30.1230236
:CTO003: TOTAL   CHARGE IN SPHERE  3 =       10.8783855

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    140.00000   140.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -14289.436023

       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         15.829          0.000          0.000         15.829 partial forces
:FOR003:   3.ATOM         88.698          0.000          0.000        -88.698 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         15.829 partial forces
:FCA003:   3.ATOM                         0.000          0.000        -88.698 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    15.829000000 partial forces
:FGL003:   3.ATOM                 0.000000000     0.000000000   -88.698000000 partial forces