DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1     5002.694308        0.000000  9559259.503037  9564262.197345
:RTO002:   2        5.142108        0.000000      123.823305      128.965413
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    2.7473031
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       91.9756407
:NTO002: TOTAL   CHARGE IN SPHERE  2 =        6.2755314

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    101.00000   100.99848     1.00002
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    2.7478114
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       91.9815585
:OTO002: TOTAL   CHARGE IN SPHERE  2 =        6.2706301

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    101.00000   101.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0052144
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0037166

:DIS  :  CHARGE DISTANCE       ( 0.0052144 for atom    1 spin 1)      0.0044655
:BIG check (qbig,qrms,qtot)    0.174D-02   0.320D-02   0.447D-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      9.70970 DISTAN   0.0004642
:CHARG:  CLM CHARGE   TOTAL     16.77827 DISTAN   0.0013703
:REDuction and DMIX in Broyd:    1.0911    0.2000
:INFO :  Dynamic rescale   0.504D+01
:INFO :  Number of Memory Steps    8 Skipping   21
:INFO :  Reduction   3.2903 Expected   0.2842 Next   0.0890 All   3.1882
:INFO :  Bounds         0.100D+00  0.200D+00  0.112D+01  0.100D+00
:DIRM :  MEMORY 8/8 RESCALE  5.039 RED    3.290 PRED  0.284 NEXT  0.089
:INFO :  DMIXM and Projections     0.100D+00  0.890D-01
:DIRP :  |BROYD|= 0.275D-03 |PRATT|= 0.171D-02 ANGLE=  87.9 DEGREES
:DIRB :  |BROYD|= 0.531D-03 |PRATT|= 0.629D-02 ANGLE=  55.1 DEGREES
       MSEC1 MIXING SCHEME WITH 0.100
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    2.7478602
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       91.9814997
:CTO002: TOTAL   CHARGE IN SPHERE  2 =        6.2706401

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    101.00000   101.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -61118.711720