DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        5.527199        0.000000    19932.396733    19937.923932
:RTO002:   2       14.905471        0.000000      304.072034      318.977505
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    1.8333450
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       26.2924382
:NTO002: TOTAL   CHARGE IN SPHERE  2 =        7.9132462

:NEC01: NUCLEAR AND ELECTRONIC CHARGE     36.00000    36.03903     0.99892
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    1.8254305
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       26.2743394
:OTO002: TOTAL   CHARGE IN SPHERE  2 =        7.9002301

:NEC02: NUCLEAR AND ELECTRONIC CHARGE     36.00000    36.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0133768
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0105987

:DIS  :  CHARGE DISTANCE       ( 0.0133768 for atom    1 spin 1)      0.0119877
:BIG check (qbig,qrms,qtot)    0.446D-02   0.853D-02   0.120D-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      4.11285 DISTAN   0.0054478
:CHARG:  CLM CHARGE   TOTAL      2.90888 DISTAN   0.0035698
:REDuction and DMIX in Broyd:    1.0763    0.2000
:INFO :  Dynamic rescale   0.235D+01
:INFO :  Number of Memory Steps    8 Skipping    1
:INFO :  Reduction   1.2795 Expected   0.1206 Next   0.1061 All   1.2732
:INFO :  Bounds         0.546D-01  0.200D+00  0.942D+00  0.546D-01
:DIRM :  MEMORY 8/8 RESCALE  2.353 RED    1.279 PRED  0.121 NEXT  0.106
:INFO :  DMIXM and Projections     0.546D-01  0.106D+00
:DIRP :  |BROYD|= 0.352D-01 |PRATT|= 0.390D-02 ANGLE= 175.6 DEGREES
:DIRB :  |BROYD|= 0.717D-01 |PRATT|= 0.946D-02 ANGLE= 145.6 DEGREES
       MSEC1 MIXING SCHEME WITH 0.055
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    1.8382629
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       26.2679253
:CTO002: TOTAL   CHARGE IN SPHERE  2 =        7.8938118

:NEC03: NUCLEAR AND ELECTRONIC CHARGE     36.00000    36.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =        -3191.953478