DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1     4433.005588        0.000000  8694559.349312  8698992.354900
:RTO002:   2        9.196616        0.000000      199.021795      208.218411
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    2.6627066
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       90.6311594
:NTO002: TOTAL   CHARGE IN SPHERE  2 =        7.5073220

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    101.00000   100.80119     1.00197
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    2.8378117
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       90.6407783
:OTO002: TOTAL   CHARGE IN SPHERE  2 =        7.5214099

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    101.00000   101.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0068882
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0105899

:DIS  :  CHARGE DISTANCE       ( 0.0105899 for atom    2 spin 1)      0.0087390
:BIG check (qbig,qrms,qtot)    0.353D-02   0.632D-02   0.874D-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     11.82442 DISTAN   0.0070683
:CHARG:  CLM CHARGE   TOTAL     16.56254 DISTAN   0.0023908
:REDuction and DMIX in Broyd:    1.0827    0.2000
:INFO :  Dynamic rescale   0.145D+01
:INFO :  Number of Memory Steps    8 Skipping   21
:INFO :  Reduction   1.7551 Expected   0.1089 Next   0.0418 All   1.7606
:INFO :  Bounds         0.866D-01  0.200D+00  0.240D+01  0.866D-01
:DIRM :  MEMORY 8/8 RESCALE  1.450 RED    1.755 PRED  0.109 NEXT  0.042
:INFO :  DMIXM and Projections     0.866D-01  0.418D-01
:DIRP :  |BROYD|= 0.175D+00 |PRATT|= 0.626D-02 ANGLE= 176.4 DEGREES
:DIRB :  |BROYD|= 0.256D+00 |PRATT|= 0.111D-01 ANGLE= 144.2 DEGREES, STEP= 0.774D+00
       MSEC1 MIXING SCHEME WITH 0.087
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    2.7929041
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       90.6714491
:CTO002: TOTAL   CHARGE IN SPHERE  2 =        7.5356468

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    101.00000   101.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -59476.832295