DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        6.248829        0.000000    14883.057110    14889.305940
:RTO002:   2        7.333947        0.000000     1886.293900     1893.627847
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=   12.6617545
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9918503
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8370625

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    160.00000   159.97741     1.00014
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=   12.6842942
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9918376
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8370889

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0000690
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000255

:DIS  :  CHARGE DISTANCE       ( 0.0000690 for atom    1 spin 1)      0.0000472
:BIG check (qbig,qrms,qtot)    0.230D-04   0.368D-04   0.472D-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      6.59169 DISTAN   0.0000303
:CHARG:  CLM CHARGE   TOTAL      0.97740 DISTAN   0.0000103
:REDuction and DMIX in Broyd:    1.0999    0.2000
:INFO :  Dynamic rescale   0.321D+01
:INFO :  Number of Memory Steps    8 Skipping   21
:INFO :  Reduction   0.9798 Expected   0.7725 Next   0.4075 All   1.0038
:INFO :  Bounds         0.778D-01  0.200D+00  0.245D+00  0.778D-01
:DIRM :  MEMORY 8/8 RESCALE  3.214 RED    0.980 PRED  0.772 NEXT  0.407
:INFO :  DMIXM and Projections     0.778D-01  0.407D+00
:DIRP :  |BROYD|= 0.161D-03 |PRATT|= 0.331D-04 ANGLE=  28.6 DEGREES
:DIRB :  |BROYD|= 0.353D-03 |PRATT|= 0.730D-04 ANGLE=  44.1 DEGREES
       MSEC1 MIXING SCHEME WITH 0.078
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=   12.6842949
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9918445
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8370816

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -12503.700497

       TOTAL FORCE IN mRy/a.u. = |F|     Fx             Fy             Fz        with/without FOR in case.in2
:FOR001:   1.ATOM         13.630          0.000          0.000         13.630 partial forces
:FOR002:   2.ATOM          5.382          0.000          0.000         -5.382 partial forces

       TOTAL FORCE WITH RESPECT TO GLOBAL CARTESIAN COORDINATES:
:FCA001:   1.ATOM                         7.869          7.869          7.869 partial forces
:FCA002:   2.ATOM                        -3.107         -3.107         -3.107 partial forces

       TOTAL FORCE WITH RESPECT TO THE GLOBAL COORDINATE SYSTEM:
:FGL001:   1.ATOM                 7.869283749     7.869283749     7.869283749 partial forces
:FGL002:   2.ATOM                -3.107298983    -3.107298983    -3.107298983 partial forces