DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        6.251300        0.000000    14883.088485    14889.339785
:RTO002:   2        7.325023        0.000000     1886.295102     1893.620125
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=   12.6725229
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9892902
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8369344

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    160.00000   159.97742     1.00014
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=   12.6952689
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9892245
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8369583

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0000639
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000246

:DIS  :  CHARGE DISTANCE       ( 0.0000639 for atom    1 spin 1)      0.0000443
:BIG check (qbig,qrms,qtot)    0.213D-04   0.342D-04   0.443D-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      6.63467 DISTAN   0.0000296
:CHARG:  CLM CHARGE   TOTAL      0.97759 DISTAN   0.0000192
:REDuction and DMIX in Broyd:    1.0999    0.2000
:INFO :  Dynamic rescale   0.346D+01
:INFO :  Number of Memory Steps    8 Skipping   21
:INFO :  Reduction   0.8138 Expected   0.1979 Next   0.1579 All   0.9215
:INFO :  Bounds         0.121D+00  0.200D+00  0.633D+00  0.121D+00
:DIRM :  MEMORY 8/8 RESCALE  3.461 RED    0.814 PRED  0.198 NEXT  0.158
:INFO :  DMIXM and Projections     0.121D+00  0.158D+00
:DIRP :  |BROYD|= 0.601D-04 |PRATT|= 0.542D-04 ANGLE= 128.7 DEGREES
:DIRB :  |BROYD|= 0.118D-03 |PRATT|= 0.197D-03 ANGLE= 129.9 DEGREES
       MSEC1 MIXING SCHEME WITH 0.121
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=   12.6952634
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9892263
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8369577

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -12503.726574

       TOTAL FORCE IN mRy/a.u. = |F|     Fx             Fy             Fz        with/without FOR in case.in2
:FOR001:   1.ATOM         11.457          0.000          0.000         11.457 partial forces
:FOR002:   2.ATOM          8.150          0.000          0.000         -8.150 partial forces

       TOTAL FORCE WITH RESPECT TO GLOBAL CARTESIAN COORDINATES:
:FCA001:   1.ATOM                         6.615          6.615          6.615 partial forces
:FCA002:   2.ATOM                        -4.705         -4.705         -4.705 partial forces

       TOTAL FORCE WITH RESPECT TO THE GLOBAL COORDINATE SYSTEM:
:FGL001:   1.ATOM                 6.614701681     6.614701681     6.614701681 partial forces
:FGL002:   2.ATOM                -4.705404443    -4.705404443    -4.705404443 partial forces