DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1     3526.637921        0.000000  7235098.011204  7238624.649125
:RTO002:   2       15.066680        0.000000      304.052720      319.119400
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    3.1770584
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       87.8166893
:NTO002: TOTAL   CHARGE IN SPHERE  2 =        8.5119313

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    108.00000   108.01761     0.99984
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    3.1574705
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       87.8185316
:OTO002: TOTAL   CHARGE IN SPHERE  2 =        8.5119990

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    108.00000   108.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0014458
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000511

:DIS  :  CHARGE DISTANCE       ( 0.0014458 for atom    1 spin 1)      0.0005160
:BIG check (qbig,qrms,qtot)    0.482D-03   0.591D-03   0.516D-03
 
******************************************************
* 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      9.54100 DISTAN   0.0004790
:CHARG:  CLM CHARGE   TOTAL     14.60468 DISTAN   0.0002627
:REDuction and DMIX in Broyd:    1.0988    0.2000
:INFO :  Dynamic rescale   0.210D+01
:INFO :  Number of Memory Steps    8 Skipping   11
:INFO :  Reduction   1.0615 Expected   0.0078 Next   0.0078 All   1.0449
:INFO :  Bounds         0.172D-01  0.200D+00  0.129D+02  0.172D-01
:DIRM :  MEMORY 8/8 RESCALE  2.098 RED    1.061 PRED  0.008 NEXT  0.008
:INFO :  DMIXM and Projections     0.172D-01  0.777D-02
:DIRP :  |BROYD|= 0.133D-03 |PRATT|= 0.959D-04 ANGLE= 174.4 DEGREES
:DIRB :  |BROYD|= 0.179D-03 |PRATT|= 0.230D-03 ANGLE= 104.7 DEGREES
       MSEC1 MIXING SCHEME WITH 0.017
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    3.1574331
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       87.8185351
:CTO002: TOTAL   CHARGE IN SPHERE  2 =        8.5120159

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    108.00000   108.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -56471.585300