DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        4.599373        0.000000    15286.028552    15290.627925
:RTO002:   2       15.028886        0.000000      303.052985      318.081871
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    2.4467791
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       24.1054030
:NTO002: TOTAL   CHARGE IN SPHERE  2 =        7.4761315

:NEC01: NUCLEAR AND ELECTRONIC CHARGE     34.00000    34.02831     0.99917
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    2.4184737
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       24.1053960
:OTO002: TOTAL   CHARGE IN SPHERE  2 =        7.4761303

:NEC02: NUCLEAR AND ELECTRONIC CHARGE     34.00000    34.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0000061
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000013

:DIS  :  CHARGE DISTANCE       ( 0.0000061 for atom    1 spin 1)      0.0000037
:BIG check (qbig,qrms,qtot)    0.203D-05   0.311D-05   0.369D-05
 
******************************************************
* 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      8.26543 DISTAN   0.0000012
:CHARG:  CLM CHARGE   TOTAL      2.64531 DISTAN   0.0000014
:REDuction and DMIX in Broyd:    1.1000    0.2000
:INFO :  Dynamic rescale   0.281D+01
:INFO :  Number of Memory Steps    8 Skipping  102
:INFO :  Reduction   0.1944 Expected   0.1177 Next   0.3941 All   0.2011
:INFO :  Bounds         0.400D+00  0.200D+00  0.254D+00  0.200D+00
:DIRM :  MEMORY 8/8 RESCALE  2.809 RED    0.194 PRED  0.118 NEXT  0.394
:INFO :  DMIXM and Projections     0.200D+00  0.394D+00
:DIRP :  |BROYD|= 0.147D-04 |PRATT|= 0.389D-05 ANGLE=  24.1 DEGREES
:DIRB :  |BROYD|= 0.308D-04 |PRATT|= 0.130D-04 ANGLE=  36.9 DEGREES
       MSEC1 MIXING SCHEME WITH 0.200
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    2.4184687
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       24.1053998
:CTO002: TOTAL   CHARGE IN SPHERE  2 =        7.4761315

:NEC03: NUCLEAR AND ELECTRONIC CHARGE     34.00000    34.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =        -2695.552269