DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        6.245766        0.000000    14883.068752    14889.314518
:RTO002:   2        7.329125        0.000000     1886.294921     1893.624046
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=   12.6650286
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9914397
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8366562

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    160.00000   159.97741     1.00014
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=   12.6877384
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9914035
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8366619

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0000585
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000075

:DIS  :  CHARGE DISTANCE       ( 0.0000585 for atom    1 spin 1)      0.0000330
:BIG check (qbig,qrms,qtot)    0.195D-04   0.295D-04   0.330D-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      6.61796 DISTAN   0.0000158
:CHARG:  CLM CHARGE   TOTAL      0.97752 DISTAN   0.0000115
:REDuction and DMIX in Broyd:    1.0999    0.2000
:INFO :  Dynamic rescale   0.373D+01
:INFO :  Number of Memory Steps    8 Skipping   20
:INFO :  Reduction   0.9464 Expected   0.0984 Next   0.0778 All   1.0543
:INFO :  Bounds         0.411D-01  0.200D+00  0.129D+01  0.411D-01
:DIRM :  MEMORY 8/8 RESCALE  3.732 RED    0.946 PRED  0.098 NEXT  0.078
:INFO :  DMIXM and Projections     0.411D-01  0.778D-01
:DIRP :  |BROYD|= 0.177D-04 |PRATT|= 0.106D-04 ANGLE=  60.4 DEGREES
:DIRB :  |BROYD|= 0.297D-04 |PRATT|= 0.401D-04 ANGLE=  69.4 DEGREES
       MSEC1 MIXING SCHEME WITH 0.041
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=   12.6877346
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       24.9914033
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       11.8366630

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    160.00000   160.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -12503.713233

       TOTAL FORCE IN mRy/a.u. = |F|     Fx             Fy             Fz        with/without FOR in case.in2
:FOR001:   1.ATOM         12.284          0.000          0.000         12.284 partial forces
:FOR002:   2.ATOM          7.057          0.000          0.000         -7.057 partial forces

       TOTAL FORCE WITH RESPECT TO GLOBAL CARTESIAN COORDINATES:
:FCA001:   1.ATOM                         7.092          7.092          7.092 partial forces
:FCA002:   2.ATOM                        -4.074         -4.074         -4.074 partial forces

       TOTAL FORCE WITH RESPECT TO THE GLOBAL COORDINATE SYSTEM:
:FGL001:   1.ATOM                 7.092170328     7.092170328     7.092170328 partial forces
:FGL002:   2.ATOM                -4.074360632    -4.074360632    -4.074360632 partial forces