DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1    13687.818354        0.000000 27384580.736444 27398268.554799
:RTO002:   2        9.100117        0.000000      199.004331      208.104448
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    3.1118805
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       89.6982749
:NTO002: TOTAL   CHARGE IN SPHERE  2 =        7.6485783

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    100.00000   100.45873     0.99543
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    2.6543285
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       89.6978597
:OTO002: TOTAL   CHARGE IN SPHERE  2 =        7.6478118

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    100.00000   100.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0003446
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0005730

:DIS  :  CHARGE DISTANCE       ( 0.0005730 for atom    2 spin 1)      0.0004588
:BIG check (qbig,qrms,qtot)    0.191D-03   0.334D-03   0.459D-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      9.82674 DISTAN   0.0003082
:CHARG:  CLM CHARGE   TOTAL     13.31331 DISTAN   0.0001266
:REDuction and DMIX in Broyd:    1.0991    0.2000
:INFO :  Dynamic rescale   0.176D+01
:INFO :  Number of Memory Steps    8 Skipping   41
:INFO :  Reduction   2.4744 Expected   0.3661 Next   0.0819 All   2.5077
:INFO :  Bounds         0.100D+00  0.200D+00  0.122D+01  0.100D+00
:DIRM :  MEMORY 8/8 RESCALE  1.762 RED    2.474 PRED  0.366 NEXT  0.082
:INFO :  DMIXM and Projections     0.100D+00  0.819D-01
:DIRP :  |BROYD|= 0.385D-02 |PRATT|= 0.382D-03 ANGLE= 173.4 DEGREES
:DIRB :  |BROYD|= 0.531D-02 |PRATT|= 0.678D-03 ANGLE= 132.8 DEGREES
       MSEC1 MIXING SCHEME WITH 0.100
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    2.6552153
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       89.6972502
:CTO002: TOTAL   CHARGE IN SPHERE  2 =        7.6475345

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    100.00000   100.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -57851.863971