DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        5.983411        0.000000    14883.114938    14889.098350
:RTO002:   2       39.162462        0.000000    34991.581211    35030.743673
:RTO003:   3       13.990041        0.000000        0.000000       13.990041
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    6.7515308
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       25.1521608
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       30.8512530
:NTO003: TOTAL   CHARGE IN SPHERE  3 =        2.6192703

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    124.00000   123.99690     1.00003
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    6.7544961
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       25.1522329
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       30.8512275
:OTO003: TOTAL   CHARGE IN SPHERE  3 =        2.6192916

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    124.00000   124.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0000545
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000292
:DTO003: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  3 =  0.0000201

:DIS  :  CHARGE DISTANCE       ( 0.0000545 for atom    1 spin 1)      0.0000346
:BIG check (qbig,qrms,qtot)    0.182D-04   0.265D-04   0.346D-04
 
******************************************************
* 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      6.88490 DISTAN   0.0000194
:CHARG:  CLM CHARGE   TOTAL      3.07237 DISTAN   0.0000127
:REDuction and DMIX in Broyd:    1.0999    0.2000
:INFO :  Dynamic rescale   0.354D+01
:INFO :  Number of Memory Steps    8 Skipping  472
:INFO :  Reduction   0.3876 Expected   0.2477 Next   0.7933 All   0.2891
:INFO :  Bounds         0.177D+00  0.200D+00  0.126D+00  0.126D+00
:DIRM :  MEMORY 8/8 RESCALE  3.539 RED    0.388 PRED  0.248 NEXT  0.793
:INFO :  DMIXM and Projections     0.126D+00  0.793D+00
:DIRP :  |BROYD|= 0.694D-04 |PRATT|= 0.359D-04 ANGLE=  30.5 DEGREES
:DIRB :  |BROYD|= 0.132D-03 |PRATT|= 0.866D-04 ANGLE=  53.2 DEGREES
       MSEC1 MIXING SCHEME WITH 0.126
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    6.7545332
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       25.1522206
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       30.8512267
:CTO003: TOTAL   CHARGE IN SPHERE  3 =        2.6192861

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    124.00000   124.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -14166.304411

       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        151.262          0.000          0.000       -151.262 partial forces
:FOR003:   3.ATOM         15.254          0.000          0.000        -15.254 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       -151.262 partial forces
:FCA003:   3.ATOM                         0.000          0.000        -15.254 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  -151.262000000 partial forces
:FGL003:   3.ATOM                 0.000000000     0.000000000   -15.254000000 partial forces