DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        6.297377        0.000000    14883.127944    14889.425321
:RTO002:   2        7.332614        0.000000     1886.292026     1893.624640
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=   12.7093704
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9743511
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8426653

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    160.00000   159.97744     1.00014
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=   12.7195935
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9796682
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8404335

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0052136
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0021946

:DIS  :  CHARGE DISTANCE       ( 0.0052136 for atom    1 spin 1)      0.0037041
:BIG check (qbig,qrms,qtot)    0.174D-02   0.283D-02   0.370D-02
 
******************************************************
* 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      6.63652 DISTAN   0.0005542
:CHARG:  CLM CHARGE   TOTAL      0.97758 DISTAN   0.0006803
:REDuction and DMIX in Broyd:    1.0926    0.2000
:INFO :  Dynamic rescale   0.488D+01
:INFO :  Number of Memory Steps    8 Skipping   21
:INFO :  Reduction   1.8622 Expected   0.0510 Next   0.0452 All   1.7723
:INFO :  Bounds         0.668D-01  0.200D+00  0.221D+01  0.668D-01
:DIRM :  MEMORY 8/8 RESCALE  4.883 RED    1.862 PRED  0.051 NEXT  0.045
:INFO :  DMIXM and Projections     0.668D-01  0.452D-01
:DIRP :  |BROYD|= 0.164D-02 |PRATT|= 0.791D-03 ANGLE=  45.0 DEGREES
:DIRB :  |BROYD|= 0.545D-02 |PRATT|= 0.379D-02 ANGLE=  52.8 DEGREES
       MSEC1 MIXING SCHEME WITH 0.067
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=   12.7205832
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9792532
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8406011

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -12503.709257

       TOTAL FORCE IN mRy/a.u. = |F|     Fx             Fy             Fz        with/without FOR in case.in2
:FOR001:   1.ATOM         10.832          0.000          0.000         10.832 partial forces
:FOR002:   2.ATOM          8.138          0.000          0.000         -8.138 partial forces

       TOTAL FORCE WITH RESPECT TO GLOBAL CARTESIAN COORDINATES:
:FCA001:   1.ATOM                         6.254          6.254          6.254 partial forces
:FCA002:   2.ATOM                        -4.698         -4.698         -4.698 partial forces

       TOTAL FORCE WITH RESPECT TO THE GLOBAL COORDINATE SYSTEM:
:FGL001:   1.ATOM                 6.253857782     6.253857782     6.253857782 partial forces
:FGL002:   2.ATOM                -4.698476240    -4.698476240    -4.698476240 partial forces