DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1     5631.838174        0.000000 10490751.851801 10496383.689974
:RTO002:   2        5.114122        0.000000      122.805823      127.919945
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    2.6211986
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       93.3687573
:NTO002: TOTAL   CHARGE IN SPHERE  2 =        6.0086843

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    102.00000   101.99864     1.00001
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    2.7460443
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       93.0548282
:OTO002: TOTAL   CHARGE IN SPHERE  2 =        6.1991275

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    102.00000   102.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.2972369
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.1448472

:DIS  :  CHARGE DISTANCE       ( 0.2972369 for atom    1 spin 1)      0.2210421
:BIG check (qbig,qrms,qtot)    0.991D-01   0.165D+00   0.221D+00
 
******************************************************
* 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      9.44893 DISTAN   0.0068612
:CHARG:  CLM CHARGE   TOTAL     17.11772 DISTAN   0.0668011
:REDuction and DMIX in Broyd:    0.7427    0.1485
:INFO :  Dynamic rescale   0.763D+01
:INFO :  Number of Memory Steps    8 Skipping   21
:INFO :  Reduction   0.9856 Expected   0.0132 Next   0.0140 All   0.9906
:INFO :  Bounds         0.286D-01  0.200D+00  0.715D+01  0.286D-01
:DIRM :  MEMORY 8/8 RESCALE  7.628 RED    0.986 PRED  0.013 NEXT  0.014
:INFO :  DMIXM and Projections     0.286D-01  0.140D-01
:DIRP :  |BROYD|= 0.283D-02 |PRATT|= 0.108D-01 ANGLE= 104.2 DEGREES
:DIRB :  |BROYD|= 0.666D-02 |PRATT|= 0.851D-01 ANGLE= 127.2 DEGREES
       MSEC1 MIXING SCHEME WITH 0.029
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    2.7464651
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       93.0542647
:CTO002: TOTAL   CHARGE IN SPHERE  2 =        6.1992702

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    102.00000   102.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -62794.492387