DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1    16079.018294        0.000000 31012566.113854 31028645.132147
:RTO002:   2        5.112770        0.000000      122.800686      127.913456
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    2.9813253
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       90.8022824
:NTO002: TOTAL   CHARGE IN SPHERE  2 =        6.2771874

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    100.00000   100.06080     0.99939
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    2.9206161
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       90.8021039
:OTO002: TOTAL   CHARGE IN SPHERE  2 =        6.2772800

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    100.00000   100.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0001315
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000722

:DIS  :  CHARGE DISTANCE       ( 0.0001315 for atom    1 spin 1)      0.0001018
:BIG check (qbig,qrms,qtot)    0.438D-04   0.750D-04   0.102D-03
 
******************************************************
* 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     10.77481 DISTAN   0.0000324
:CHARG:  CLM CHARGE   TOTAL     13.48306 DISTAN   0.0000269
:REDuction and DMIX in Broyd:    1.0998    0.2000
:INFO :  Dynamic rescale   0.220D+01
:INFO :  Number of Memory Steps    8 Skipping   21
:INFO :  Reduction   3.7526 Expected   0.2572 Next   0.1295 All   2.0205
:INFO :  Bounds         0.668D-01  0.200D+00  0.772D+00  0.668D-01
:DIRM :  MEMORY 8/8 RESCALE  2.201 RED    3.753 PRED  0.257 NEXT  0.129
:INFO :  DMIXM and Projections     0.668D-01  0.129D+00
:DIRP :  |BROYD|= 0.584D-05 |PRATT|= 0.343D-04 ANGLE=  42.2 DEGREES
:DIRB :  |BROYD|= 0.255D-04 |PRATT|= 0.864D-04 ANGLE=  38.4 DEGREES
       MSEC1 MIXING SCHEME WITH 0.067
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    2.9206157
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       90.8021067
:CTO002: TOTAL   CHARGE IN SPHERE  2 =        6.2772776

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    100.00000   100.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -59444.366395