DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1      465.376965        0.000000   139190.906664   139656.283629
:RTO002:   2        7.297093        0.000000     1886.339641     1893.636734
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=   13.7965752
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       42.4696791
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       12.0788274

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    232.00000   231.99060     1.00004
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=   13.8059727
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       42.4696743
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       12.0788325

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    232.00000   232.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0000230
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000046

:DIS  :  CHARGE DISTANCE       ( 0.0000230 for atom    1 spin 1)      0.0000138
:BIG check (qbig,qrms,qtot)    0.767D-05   0.117D-04   0.138D-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     10.41922 DISTAN   0.0000590
:CHARG:  CLM CHARGE   TOTAL      1.47167 DISTAN   0.0000026
:REDuction and DMIX in Broyd:    1.1000    0.2000
:INFO :  Dynamic rescale   0.518D+00
:INFO :  Number of Memory Steps    2 Skipping    0
:INFO :  Reduction   0.5762 Expected   0.2345 Next   0.9135 All   0.1377
:INFO :  Bounds         0.513D-01  0.200D+00  0.109D+00  0.513D-01
:DIRM :  MEMORY 2/8 RESCALE  0.518 RED    0.576 PRED  0.235 NEXT  0.913
:INFO :  DMIXM and Projections     0.513D-01  0.913D+00
:DIRP :  |BROYD|= 0.103D-03 |PRATT|= 0.735D-05 ANGLE=   4.4 DEGREES
:DIRB :  |BROYD|= 0.104D-03 |PRATT|= 0.130D-04 ANGLE=  52.3 DEGREES
       MSEC1 MIXING SCHEME WITH 0.051
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=   13.8059759
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       42.4696739
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       12.0788321

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    232.00000   232.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -38575.518228

       TOTAL FORCE IN mRy/a.u. = |F|     Fx             Fy             Fz        with/without FOR in case.in2
:FOR001:   1.ATOM         15.528          0.000          0.000         15.528 partial forces
:FOR002:   2.ATOM          7.686          0.000          0.000          7.686 partial forces

       TOTAL FORCE WITH RESPECT TO GLOBAL CARTESIAN COORDINATES:
:FCA001:   1.ATOM                         8.965          8.965          8.965 partial forces
:FCA002:   2.ATOM                         4.438          4.438          4.438 partial forces

       TOTAL FORCE WITH RESPECT TO THE GLOBAL COORDINATE SYSTEM:
:FGL001:   1.ATOM                 8.965094502     8.965094502     8.965094502 partial forces
:FGL002:   2.ATOM                 4.437513932     4.437513932     4.437513932 partial forces