DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1     3540.037524        0.000000  7225978.253446  7229518.290970
:RTO002:   2        5.127990        0.000000      122.797514      127.925504
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    3.1316095
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       88.5161235
:NTO002: TOTAL   CHARGE IN SPHERE  2 =        6.3492146

:NEC01: NUCLEAR AND ELECTRONIC CHARGE     98.00000    97.99695     1.00003
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    3.1339388
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       88.5180694
:OTO002: TOTAL   CHARGE IN SPHERE  2 =        6.3479918

:NEC02: NUCLEAR AND ELECTRONIC CHARGE     98.00000    98.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0017412
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0009315

:DIS  :  CHARGE DISTANCE       ( 0.0017412 for atom    1 spin 1)      0.0013364
:BIG check (qbig,qrms,qtot)    0.580D-03   0.987D-03   0.134D-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     11.31550 DISTAN   0.0000544
:CHARG:  CLM CHARGE   TOTAL     15.84208 DISTAN   0.0003826
:REDuction and DMIX in Broyd:    1.0973    0.2000
:INFO :  Dynamic rescale   0.637D+01
:INFO :  Number of Memory Steps    8 Skipping   21
:INFO :  Reduction   0.8848 Expected   0.0140 Next   0.0150 All   0.9246
:INFO :  Bounds         0.847D-01  0.200D+00  0.667D+01  0.847D-01
:DIRM :  MEMORY 8/8 RESCALE  6.368 RED    0.885 PRED  0.014 NEXT  0.015
:INFO :  DMIXM and Projections     0.847D-01  0.150D-01
:DIRP :  |BROYD|= 0.187D-04 |PRATT|= 0.210D-03 ANGLE=  89.1 DEGREES
:DIRB :  |BROYD|= 0.509D-04 |PRATT|= 0.145D-02 ANGLE=  53.2 DEGREES
       MSEC1 MIXING SCHEME WITH 0.085
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    3.1339419
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       88.5180658
:CTO002: TOTAL   CHARGE IN SPHERE  2 =        6.3479923

:NEC03: NUCLEAR AND ELECTRONIC CHARGE     98.00000    98.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -56226.207013