DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1     5669.439151        0.000000 10504263.250136 10509932.689286
:RTO002:   2       15.083807        0.000000      304.051873      319.135680
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    3.0473282
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       91.8801972
:NTO002: TOTAL   CHARGE IN SPHERE  2 =        8.3200470

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    112.00000   111.56762     1.00388
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    2.9881019
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       92.1800096
:OTO002: TOTAL   CHARGE IN SPHERE  2 =        8.4159442

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    112.00000   112.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.2490180
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0748167

:DIS  :  CHARGE DISTANCE       ( 0.2490180 for atom    1 spin 1)      0.1328838
:BIG check (qbig,qrms,qtot)    0.830D-01   0.110D+00   0.133D+00
 
******************************************************
* 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     14.09812 DISTAN   0.1859858
:CHARG:  CLM CHARGE   TOTAL     15.81011 DISTAN   0.0512834
:REDuction and DMIX in Broyd:    0.8666    0.1733
:INFO :  Dynamic rescale   0.167D+01
:INFO :  Number of Memory Steps    8 Skipping   21
:INFO :  Reduction   1.1446 Expected   0.0194 Next   0.0180 All   1.1533
:INFO :  Bounds         0.382D-01  0.200D+00  0.557D+01  0.382D-01
:DIRM :  MEMORY 8/8 RESCALE  1.671 RED    1.145 PRED  0.019 NEXT  0.018
:INFO :  DMIXM and Projections     0.382D-01  0.180D-01
:DIRP :  |BROYD|= 0.170D-01 |PRATT|= 0.637D-01 ANGLE=   8.5 DEGREES
:DIRB :  |BROYD|= 0.258D-01 |PRATT|= 0.111D+00 ANGLE=  27.1 DEGREES
       MSEC1 MIXING SCHEME WITH 0.038
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    2.9924482
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       92.1771434
:CTO002: TOTAL   CHARGE IN SPHERE  2 =        8.4152042

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    112.00000   112.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -63039.923399