DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        6.249946        0.000000    14883.083286    14889.333232
:RTO002:   2        7.325686        0.000000     1886.295157     1893.620843
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=   12.6712557
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9896451
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8368958

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    160.00000   159.97742     1.00014
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=   12.6937013
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9897189
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8368558

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0000548
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000379

:DIS  :  CHARGE DISTANCE       ( 0.0000548 for atom    1 spin 1)      0.0000463
:BIG check (qbig,qrms,qtot)    0.183D-04   0.333D-04   0.463D-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      6.63429 DISTAN   0.0000206
:CHARG:  CLM CHARGE   TOTAL      0.97759 DISTAN   0.0000094
:REDuction and DMIX in Broyd:    1.0999    0.2000
:INFO :  Dynamic rescale   0.312D+01
:INFO :  Number of Memory Steps    8 Skipping   11
:INFO :  Reduction   1.1340 Expected   0.0570 Next   0.0380 All   1.2464
:INFO :  Bounds         0.102D+00  0.200D+00  0.263D+01  0.102D+00
:DIRM :  MEMORY 8/8 RESCALE  3.119 RED    1.134 PRED  0.057 NEXT  0.038
:INFO :  DMIXM and Projections     0.102D+00  0.380D-01
:DIRP :  |BROYD|= 0.389D-05 |PRATT|= 0.286D-04 ANGLE= 118.5 DEGREES
:DIRB :  |BROYD|= 0.115D-04 |PRATT|= 0.831D-04 ANGLE= 125.1 DEGREES
       MSEC1 MIXING SCHEME WITH 0.102
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=   12.6937001
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9897195
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8368557

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -12503.722738

       TOTAL FORCE IN mRy/a.u. = |F|     Fx             Fy             Fz        with/without FOR in case.in2
:FOR001:   1.ATOM         11.562          0.000          0.000         11.562 partial forces
:FOR002:   2.ATOM          8.053          0.000          0.000         -8.053 partial forces

       TOTAL FORCE WITH RESPECT TO GLOBAL CARTESIAN COORDINATES:
:FCA001:   1.ATOM                         6.675          6.675          6.675 partial forces
:FCA002:   2.ATOM                        -4.649         -4.649         -4.649 partial forces

       TOTAL FORCE WITH RESPECT TO THE GLOBAL COORDINATE SYSTEM:
:FGL001:   1.ATOM                 6.675323456     6.675323456     6.675323456 partial forces
:FGL002:   2.ATOM                -4.649401470    -4.649401470    -4.649401470 partial forces