DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1     5542.357631        0.000000 10497185.908656 10502728.266287
:RTO002:   2        9.199218        0.000000      199.717751      208.916970
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    2.1125566
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       94.6203602
:NTO002: TOTAL   CHARGE IN SPHERE  2 =        6.2665608

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    103.00000   102.99948     1.00001
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    2.1278835
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       94.5732694
:OTO002: TOTAL   CHARGE IN SPHERE  2 =        6.2988471

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    103.00000   103.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0464783
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0272502

:DIS  :  CHARGE DISTANCE       ( 0.0464783 for atom    1 spin 1)      0.0368643
:BIG check (qbig,qrms,qtot)    0.155D-01   0.269D-01   0.369D-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      7.10276 DISTAN   0.0018542
:CHARG:  CLM CHARGE   TOTAL     16.89345 DISTAN   0.0109267
:REDuction and DMIX in Broyd:    1.0289    0.2000
:INFO :  Dynamic rescale   0.594D+01
:INFO :  Number of Memory Steps    8 Skipping   31
:INFO :  Reduction   0.8956 Expected   0.0269 Next   0.0279 All   0.9036
:INFO :  Bounds         0.156D+00  0.200D+00  0.358D+01  0.156D+00
:DIRM :  MEMORY 8/8 RESCALE  5.938 RED    0.896 PRED  0.027 NEXT  0.028
:INFO :  DMIXM and Projections     0.156D+00  0.279D-01
:DIRP :  |BROYD|= 0.148D-02 |PRATT|= 0.126D-01 ANGLE=  83.8 DEGREES
:DIRB :  |BROYD|= 0.174D-02 |PRATT|= 0.763D-01 ANGLE=  97.6 DEGREES
       MSEC1 MIXING SCHEME WITH 0.156
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    2.1278998
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       94.5731922
:CTO002: TOTAL   CHARGE IN SPHERE  2 =        6.2989080

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    103.00000   103.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -62842.848357