DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        6.256124        0.000000    14883.048775    14889.304900
:RTO002:   2        7.338377        0.000000     1886.292469     1893.630846
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=   12.6609413
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9913600
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8377547

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    160.00000   159.97740     1.00014
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=   12.6840059
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9911659
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8378327

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0001930
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000787

:DIS  :  CHARGE DISTANCE       ( 0.0001930 for atom    1 spin 1)      0.0001359
:BIG check (qbig,qrms,qtot)    0.643D-04   0.104D-03   0.136D-03
 
******************************************************
* 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      6.56859 DISTAN   0.0000405
:CHARG:  CLM CHARGE   TOTAL      0.97729 DISTAN   0.0000323
:REDuction and DMIX in Broyd:    1.0997    0.2000
:INFO :  Dynamic rescale   0.421D+01
:INFO :  Number of Memory Steps    8 Skipping   21
:INFO :  Reduction   0.9400 Expected   0.0376 Next   0.0395 All   0.9293
:INFO :  Bounds         0.957D-01  0.200D+00  0.253D+01  0.957D-01
:DIRM :  MEMORY 8/8 RESCALE  4.212 RED    0.940 PRED  0.038 NEXT  0.039
:INFO :  DMIXM and Projections     0.957D-01  0.395D-01
:DIRP :  |BROYD|= 0.202D-04 |PRATT|= 0.714D-04 ANGLE= 157.3 DEGREES
:DIRB :  |BROYD|= 0.508D-04 |PRATT|= 0.262D-03 ANGLE= 139.2 DEGREES
       MSEC1 MIXING SCHEME WITH 0.096
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=   12.6840067
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9911652
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8378332

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -12503.683460

       TOTAL FORCE IN mRy/a.u. = |F|     Fx             Fy             Fz        with/without FOR in case.in2
:FOR001:   1.ATOM         15.107          0.000          0.000         15.107 partial forces
:FOR002:   2.ATOM          3.831          0.000          0.000         -3.831 partial forces

       TOTAL FORCE WITH RESPECT TO GLOBAL CARTESIAN COORDINATES:
:FCA001:   1.ATOM                         8.722          8.722          8.722 partial forces
:FCA002:   2.ATOM                        -2.212         -2.212         -2.212 partial forces

       TOTAL FORCE WITH RESPECT TO THE GLOBAL COORDINATE SYSTEM:
:FGL001:   1.ATOM                 8.722030051     8.722030051     8.722030051 partial forces
:FGL002:   2.ATOM                -2.211828763    -2.211828763    -2.211828763 partial forces