DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        4.403667        0.000000    15302.030921    15306.434588
:RTO002:   2       14.939435        0.000000      304.058484      318.997918
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    1.8839782
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       24.5088203
:NTO002: TOTAL   CHARGE IN SPHERE  2 =        8.0766776

:NEC01: NUCLEAR AND ELECTRONIC CHARGE     34.00000    34.46948     0.98638
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    1.5575054
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       24.3657275
:OTO002: TOTAL   CHARGE IN SPHERE  2 =        8.0767671

:NEC02: NUCLEAR AND ELECTRONIC CHARGE     34.00000    34.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.1136826
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0013916

:DIS  :  CHARGE DISTANCE       ( 0.1136826 for atom    1 spin 1)      0.0575371
:BIG check (qbig,qrms,qtot)    0.379D-01   0.568D-01   0.575D-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      3.33252 DISTAN   0.0218646
:CHARG:  CLM CHARGE   TOTAL      2.64720 DISTAN   0.0251121
:REDuction and DMIX in Broyd:    0.9913    0.1983
:INFO :  Dynamic rescale   0.306D+01
:INFO :  Number of Memory Steps    8 Skipping   21
:INFO :  Reduction   0.9924 Expected   0.0034 Next   0.0032 All   0.9950
:INFO :  Bounds         0.330D-01  0.200D+00  0.315D+02  0.330D-01
:DIRM :  MEMORY 8/8 RESCALE  3.061 RED    0.992 PRED  0.003 NEXT  0.003
:INFO :  DMIXM and Projections     0.330D-01  0.317D-02
:DIRP :  |BROYD|= 0.791D-04 |PRATT|= 0.128D-01 ANGLE=  55.4 DEGREES
:DIRB :  |BROYD|= 0.117D-02 |PRATT|= 0.388D-01 ANGLE=  66.7 DEGREES
       MSEC1 MIXING SCHEME WITH 0.033
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    1.5575432
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       24.3658154
:CTO002: TOTAL   CHARGE IN SPHERE  2 =        8.0766414

:NEC03: NUCLEAR AND ELECTRONIC CHARGE     34.00000    34.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =        -2695.548907