DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        6.249884        0.000000    14883.084673    14889.334557
:RTO002:   2        7.325015        0.000000     1886.295310     1893.620325
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=   12.6714755
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9896604
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8368258

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    160.00000   159.97742     1.00014
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=   12.6942999
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9895837
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8368413

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0000788
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000231

:DIS  :  CHARGE DISTANCE       ( 0.0000788 for atom    1 spin 1)      0.0000509
:BIG check (qbig,qrms,qtot)    0.263D-04   0.410D-04   0.509D-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      6.63542 DISTAN   0.0000233
:CHARG:  CLM CHARGE   TOTAL      0.97759 DISTAN   0.0000113
:REDuction and DMIX in Broyd:    1.0999    0.2000
:INFO :  Dynamic rescale   0.336D+01
:INFO :  Number of Memory Steps    8 Skipping   21
:INFO :  Reduction   0.5942 Expected   0.3363 Next   0.3712 All   0.5469
:INFO :  Bounds         0.139D+00  0.200D+00  0.269D+00  0.139D+00
:DIRM :  MEMORY 8/8 RESCALE  3.356 RED    0.594 PRED  0.336 NEXT  0.371
:INFO :  DMIXM and Projections     0.139D+00  0.371D+00
:DIRP :  |BROYD|= 0.103D-03 |PRATT|= 0.475D-04 ANGLE=  24.9 DEGREES
:DIRB :  |BROYD|= 0.223D-03 |PRATT|= 0.137D-03 ANGLE=  51.7 DEGREES
       MSEC1 MIXING SCHEME WITH 0.139
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=   12.6942576
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9895896
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8368461

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -12503.722653

       TOTAL FORCE IN mRy/a.u. = |F|     Fx             Fy             Fz        with/without FOR in case.in2
:FOR001:   1.ATOM         11.502          0.000          0.000         11.502 partial forces
:FOR002:   2.ATOM          8.149          0.000          0.000         -8.149 partial forces

       TOTAL FORCE WITH RESPECT TO GLOBAL CARTESIAN COORDINATES:
:FCA001:   1.ATOM                         6.641          6.641          6.641 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                 6.640682442     6.640682442     6.640682442 partial forces
:FGL002:   2.ATOM                -4.704827093    -4.704827093    -4.704827093 partial forces