DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        6.008984        0.000000    14883.070633    14889.079617
:RTO002:   2       39.349034        0.000000    34991.528423    35030.877457
:RTO003:   3       61.081725        0.000000     6037.130040     6098.211764
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    8.0770732
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       25.1293515
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       30.6902973
:NTO003: TOTAL   CHARGE IN SPHERE  3 =       18.2797113

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    138.00000   137.99608     1.00003
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    8.0809946
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       25.1293536
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       30.6902934
:OTO003: TOTAL   CHARGE IN SPHERE  3 =       18.2797113

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    138.00000   138.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0000121
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000037
:DTO003: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  3 =  0.0000047

:DIS  :  CHARGE DISTANCE       ( 0.0000121 for atom    1 spin 1)      0.0000073
:BIG check (qbig,qrms,qtot)    0.403D-05   0.584D-05   0.725D-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     10.01689 DISTAN   0.0000051
:CHARG:  CLM CHARGE   TOTAL      4.51108 DISTAN   0.0000026
:REDuction and DMIX in Broyd:    1.1000    0.2000
:INFO :  Dynamic rescale   0.339D+01
:INFO :  Number of Memory Steps    8 Skipping  486
:INFO :  Reduction   0.7311 Expected   0.8110 Next   0.4403 All   0.6808
:INFO :  Bounds         0.181D+00  0.200D+00  0.227D+00  0.181D+00
:DIRM :  MEMORY 8/8 RESCALE  3.389 RED    0.731 PRED  0.811 NEXT  0.440
:INFO :  DMIXM and Projections     0.181D+00  0.440D+00
:DIRP :  |BROYD|= 0.688D-04 |PRATT|= 0.154D-04 ANGLE=  11.5 DEGREES
:DIRB :  |BROYD|= 0.121D-03 |PRATT|= 0.267D-04 ANGLE=  20.2 DEGREES
       MSEC1 MIXING SCHEME WITH 0.181
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    8.0809926
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       25.1293528
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       30.6902946
:CTO003: TOTAL   CHARGE IN SPHERE  3 =       18.2797127

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    138.00000   138.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -15496.993994

       TOTAL FORCE IN mRy/a.u. = |F|     Fx             Fy             Fz        with/without FOR in case.in2
:FOR001:   1.ATOM          0.000          0.000          0.000          0.000 partial forces
:FOR002:   2.ATOM         84.996          0.000          0.000        -84.996 partial forces
:FOR003:   3.ATOM          0.000          0.000          0.000          0.000 partial forces

       TOTAL FORCE WITH RESPECT TO GLOBAL CARTESIAN COORDINATES:
:FCA001:   1.ATOM                         0.000          0.000          0.000 partial forces
:FCA002:   2.ATOM                         0.000          0.000        -84.996 partial forces
:FCA003:   3.ATOM                         0.000          0.000          0.000 partial forces

       TOTAL FORCE WITH RESPECT TO THE GLOBAL COORDINATE SYSTEM:
:FGL001:   1.ATOM                 0.000000000     0.000000000     0.000000000 partial forces
:FGL002:   2.ATOM                 0.000000000     0.000000000   -84.996000000 partial forces
:FGL003:   3.ATOM                 0.000000000     0.000000000     0.000000000 partial forces