DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        5.824165        0.000000    14883.056979    14888.881144
:RTO002:   2       54.268786        0.000000    39112.289226    39166.558011
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    6.6157100
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       25.0447146
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       31.6460789

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    120.00000   119.99730     1.00002
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    6.6181472
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       25.0448177
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       31.6461087

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    120.00000   120.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0001568
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000259

:DIS  :  CHARGE DISTANCE       ( 0.0001568 for atom    1 spin 1)      0.0000913
:BIG check (qbig,qrms,qtot)    0.523D-04   0.795D-04   0.913D-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      8.77583 DISTAN   0.0000371
:CHARG:  CLM CHARGE   TOTAL      3.20594 DISTAN   0.0000332
:REDuction and DMIX in Broyd:    1.0998    0.2000
:INFO :  Dynamic rescale   0.375D+01
:INFO :  Number of Memory Steps    8 Skipping  488
:INFO :  Reduction   0.1751 Expected   0.1457 Next   0.9922 All   0.1355
:INFO :  Bounds         0.113D+00  0.200D+00  0.101D+00  0.101D+00
:DIRM :  MEMORY 8/8 RESCALE  3.750 RED    0.175 PRED  0.146 NEXT  0.992
:INFO :  DMIXM and Projections     0.101D+00  0.992D+00
:DIRP :  |BROYD|= 0.952D-04 |PRATT|= 0.808D-04 ANGLE=  13.3 DEGREES
:DIRB :  |BROYD|= 0.240D-03 |PRATT|= 0.214D-03 ANGLE=  16.2 DEGREES
       MSEC1 MIXING SCHEME WITH 0.101
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    6.6181759
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       25.0448064
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       31.6461057

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    120.00000   120.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -14812.659695

       TOTAL FORCE IN mRy/a.u. = |F|     Fx             Fy             Fz        with/without FOR in case.in2
:FOR001:   1.ATOM          0.000          0.000          0.000          0.000 partial forces
:FOR002:   2.ATOM        369.800          0.000          0.000        369.800 partial forces

       TOTAL FORCE WITH RESPECT TO GLOBAL CARTESIAN COORDINATES:
:FCA001:   1.ATOM                         0.000          0.000          0.000 partial forces
:FCA002:   2.ATOM                         0.000          0.000        369.800 partial forces

       TOTAL FORCE WITH RESPECT TO THE GLOBAL COORDINATE SYSTEM:
:FGL001:   1.ATOM                 0.000000000     0.000000000     0.000000000 partial forces
:FGL002:   2.ATOM                 0.000000000     0.000000000   369.800000000 partial forces