DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1    18846.089635        0.000000 35168048.404288 35186894.493923
:RTO002:   2       15.010945        0.000000      302.110003      317.120948
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    3.1687740
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       91.0211516
:NTO002: TOTAL   CHARGE IN SPHERE  2 =        8.4038298

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    111.00000   110.99759     1.00002
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    3.1710931
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       91.0211341
:OTO002: TOTAL   CHARGE IN SPHERE  2 =        8.4038864

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    111.00000   111.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0000167
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000450

:DIS  :  CHARGE DISTANCE       ( 0.0000450 for atom    2 spin 1)      0.0000355
:BIG check (qbig,qrms,qtot)    0.150D-04   0.268D-04   0.355D-04
 
******************************************************
* 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     15.63341 DISTAN   0.0000368
:CHARG:  CLM CHARGE   TOTAL     12.69659 DISTAN   0.0000100
:REDuction and DMIX in Broyd:    1.0999    0.2000
:INFO :  Dynamic rescale   0.159D+01
:INFO :  Number of Memory Steps    8 Skipping   21
:INFO :  Reduction   0.5997 Expected   0.0297 Next   0.0512 All   0.6084
:INFO :  Bounds         0.112D+00  0.200D+00  0.195D+01  0.112D+00
:DIRM :  MEMORY 8/8 RESCALE  1.590 RED    0.600 PRED  0.030 NEXT  0.051
:INFO :  DMIXM and Projections     0.112D+00  0.512D-01
:DIRP :  |BROYD|= 0.116D-04 |PRATT|= 0.352D-04 ANGLE=   3.7 DEGREES
:DIRB :  |BROYD|= 0.140D-04 |PRATT|= 0.624D-04 ANGLE=  38.4 DEGREES
       MSEC1 MIXING SCHEME WITH 0.112
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    3.1710956
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       91.0211337
:CTO002: TOTAL   CHARGE IN SPHERE  2 =        8.4038854

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    111.00000   111.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -61331.526850