DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1     3994.549488        0.000000  7923706.874555  7927701.424043
:RTO002:   2        5.058214        0.000000      122.802831      127.861045
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    3.0769822
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       89.7018516
:NTO002: TOTAL   CHARGE IN SPHERE  2 =        6.3743750

:NEC01: NUCLEAR AND ELECTRONIC CHARGE     99.00000    99.15321     0.99845
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    2.9273058
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       89.7016819
:OTO002: TOTAL   CHARGE IN SPHERE  2 =        6.3710123

:NEC02: NUCLEAR AND ELECTRONIC CHARGE     99.00000    99.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0004507
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0025556

:DIS  :  CHARGE DISTANCE       ( 0.0025556 for atom    2 spin 1)      0.0015031
:BIG check (qbig,qrms,qtot)    0.852D-03   0.130D-02   0.150D-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     10.62040 DISTAN   0.0009012
:CHARG:  CLM CHARGE   TOTAL     16.13966 DISTAN   0.0004519
:REDuction and DMIX in Broyd:    1.0970    0.2000
:INFO :  Dynamic rescale   0.193D+01
:INFO :  Number of Memory Steps    8 Skipping   21
:INFO :  Reduction   0.5956 Expected   0.0695 Next   0.1187 All   0.5987
:INFO :  Bounds         0.317D+00  0.200D+00  0.843D+00  0.200D+00
:DIRM :  MEMORY 8/8 RESCALE  1.925 RED    0.596 PRED  0.069 NEXT  0.119
:INFO :  DMIXM and Projections     0.200D+00  0.119D+00
:DIRP :  |BROYD|= 0.146D-02 |PRATT|= 0.252D-02 ANGLE= 168.0 DEGREES
:DIRB :  |BROYD|= 0.434D-02 |PRATT|= 0.472D-02 ANGLE= 109.1 DEGREES
       MSEC1 MIXING SCHEME WITH 0.200
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    2.9280406
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       89.7010947
:CTO002: TOTAL   CHARGE IN SPHERE  2 =        6.3708647

:NEC03: NUCLEAR AND ELECTRONIC CHARGE     99.00000    99.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -57819.898221