DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1     4949.930556        0.000000  9559257.952550  9564207.883106
:RTO002:   2        9.147821        0.000000      200.458523      209.606345
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    2.5496311
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       91.9461747
:NTO002: TOTAL   CHARGE IN SPHERE  2 =        7.5657936

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    102.00000   102.06160     0.99940
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    2.4906653
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       91.9459051
:OTO002: TOTAL   CHARGE IN SPHERE  2 =        7.5634296

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    102.00000   102.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0002307
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0017705

:DIS  :  CHARGE DISTANCE       ( 0.0017705 for atom    2 spin 1)      0.0010006
:BIG check (qbig,qrms,qtot)    0.590D-03   0.893D-03   0.100D-02
 
******************************************************
* 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      9.73038 DISTAN   0.0006779
:CHARG:  CLM CHARGE   TOTAL     16.86012 DISTAN   0.0003492
:REDuction and DMIX in Broyd:    1.0980    0.2000
:INFO :  Dynamic rescale   0.189D+01
:INFO :  Number of Memory Steps    8 Skipping   21
:INFO :  Reduction   0.7652 Expected   0.0317 Next   0.0362 All   0.7696
:INFO :  Bounds         0.847D-01  0.200D+00  0.276D+01  0.847D-01
:DIRM :  MEMORY 8/8 RESCALE  1.895 RED    0.765 PRED  0.032 NEXT  0.036
:INFO :  DMIXM and Projections     0.847D-01  0.362D-01
:DIRP :  |BROYD|= 0.446D-03 |PRATT|= 0.789D-03 ANGLE= 176.7 DEGREES
:DIRB :  |BROYD|= 0.639D-03 |PRATT|= 0.153D-02 ANGLE= 144.0 DEGREES
       MSEC1 MIXING SCHEME WITH 0.085
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    2.4907710
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       91.9458538
:CTO002: TOTAL   CHARGE IN SPHERE  2 =        7.5633752

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    102.00000   102.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -61152.233611