DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1     3492.467924        0.000000  7230321.546547  7233814.014471
:RTO002:   2        9.226911        0.000000      199.691326      208.918237
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    2.4904813
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       90.5777598
:NTO002: TOTAL   CHARGE IN SPHERE  2 =        5.9308178

:NEC01: NUCLEAR AND ELECTRONIC CHARGE     99.00000    98.99906     1.00001
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    2.4944819
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       90.5760765
:OTO002: TOTAL   CHARGE IN SPHERE  2 =        5.9294415

:NEC02: NUCLEAR AND ELECTRONIC CHARGE     99.00000    99.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0050892
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0013162

:DIS  :  CHARGE DISTANCE       ( 0.0050892 for atom    1 spin 1)      0.0032027
:BIG check (qbig,qrms,qtot)    0.170D-02   0.263D-02   0.320D-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      7.85641 DISTAN   0.0003931
:CHARG:  CLM CHARGE   TOTAL     15.63736 DISTAN   0.0010206
:REDuction and DMIX in Broyd:    1.0936    0.2000
:INFO :  Dynamic rescale   0.520D+01
:INFO :  Number of Memory Steps    8 Skipping   21
:INFO :  Reduction   0.9164 Expected   0.3866 Next   0.5188 All   0.7737
:INFO :  Bounds         0.128D+00  0.200D+00  0.193D+00  0.128D+00
:DIRM :  MEMORY 8/8 RESCALE  5.202 RED    0.916 PRED  0.387 NEXT  0.519
:INFO :  DMIXM and Projections     0.128D+00  0.519D+00
:DIRP :  |BROYD|= 0.406D-02 |PRATT|= 0.184D-02 ANGLE=  82.5 DEGREES
:DIRB :  |BROYD|= 0.123D-01 |PRATT|= 0.608D-02 ANGLE=  33.5 DEGREES
       MSEC1 MIXING SCHEME WITH 0.128
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    2.4935822
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       90.5768125
:CTO002: TOTAL   CHARGE IN SPHERE  2 =        5.9296053

:NEC03: NUCLEAR AND ELECTRONIC CHARGE     99.00000    99.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -56273.110980