DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1     3986.085324        0.000000  7933763.662268  7937749.747592
:RTO002:   2       15.111453        0.000000      304.054141      319.165595
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    3.1217000
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       88.9134394
:NTO002: TOTAL   CHARGE IN SPHERE  2 =        8.4778200

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    109.00000   108.99078     1.00008
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    3.1691568
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       88.8727136
:OTO002: TOTAL   CHARGE IN SPHERE  2 =        8.4790648

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    109.00000   109.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0327110
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0009571

:DIS  :  CHARGE DISTANCE       ( 0.0327110 for atom    1 spin 1)      0.0115418
:BIG check (qbig,qrms,qtot)    0.109D-01   0.134D-01   0.115D-01
 
******************************************************
* 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     15.71093 DISTAN   0.0146190
:CHARG:  CLM CHARGE   TOTAL     14.89992 DISTAN   0.0060885
:REDuction and DMIX in Broyd:    1.0736    0.2000
:INFO :  Dynamic rescale   0.181D+01
:INFO :  Number of Memory Steps    8 Skipping   21
:INFO :  Reduction   6.2070 Expected   0.0782 Next   0.0118 All   6.4844
:INFO :  Bounds         0.583D-01  0.200D+00  0.851D+01  0.583D-01
:DIRM :  MEMORY 8/8 RESCALE  1.808 RED    6.207 PRED  0.078 NEXT  0.012
:INFO :  DMIXM and Projections     0.583D-01  0.118D-01
:DIRP :  |BROYD|= 0.266D-02 |PRATT|= 0.845D-02 ANGLE= 172.4 DEGREES
:DIRB :  |BROYD|= 0.302D-02 |PRATT|= 0.185D-01 ANGLE= 125.8 DEGREES
       MSEC1 MIXING SCHEME WITH 0.058
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    3.1696155
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       88.8725698
:CTO002: TOTAL   CHARGE IN SPHERE  2 =        8.4789074

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    109.00000   109.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -58062.931397