DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1      402.903282        0.000000   485343.547937   485746.451218
:RTO002:   2        6.071349        0.000000    15302.944296    15309.015645
:RTO003:   3       40.989599        0.000000    36570.165561    36611.155160
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    9.2496124
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       53.0698422
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       25.0345709
:NTO003: TOTAL   CHARGE IN SPHERE  3 =       30.8027857

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    174.00000   173.99417     1.00003
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    9.2551019
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       53.0698309
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       25.0345150
:OTO003: TOTAL   CHARGE IN SPHERE  3 =       30.8030186

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    174.00000   174.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0000681
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000648
:DTO003: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  3 =  0.0002133

:DIS  :  CHARGE DISTANCE       ( 0.0002133 for atom    3 spin 1)      0.0001249
:BIG check (qbig,qrms,qtot)    0.711D-04   0.102D-03   0.125D-03
 
******************************************************
* 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     15.66712 DISTAN   0.0000538
:CHARG:  CLM CHARGE   TOTAL      6.83093 DISTAN   0.0000470
:REDuction and DMIX in Broyd:    1.0998    0.2000
:INFO :  Dynamic rescale   0.396D+01
:INFO :  Number of Memory Steps    8 Skipping  482
:INFO :  Reduction   0.3042 Expected   0.2107 Next   0.9740 All   0.1928
:INFO :  Bounds         0.618D-01  0.200D+00  0.103D+00  0.618D-01
:DIRM :  MEMORY 8/8 RESCALE  3.960 RED    0.304 PRED  0.211 NEXT  0.974
:INFO :  DMIXM and Projections     0.618D-01  0.974D+00
:DIRP :  |BROYD|= 0.210D-03 |PRATT|= 0.691D-04 ANGLE=  33.4 DEGREES
:DIRB :  |BROYD|= 0.373D-03 |PRATT|= 0.149D-03 ANGLE=  52.9 DEGREES
       MSEC1 MIXING SCHEME WITH 0.062
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    9.2551645
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       53.0698321
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       25.0345137
:CTO003: TOTAL   CHARGE IN SPHERE  3 =       30.8029880

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    174.00000   174.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -30414.984359

       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          0.000          0.000          0.000          0.000 partial forces
:FOR003:   3.ATOM        121.864          0.000          0.000        121.864 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          0.000 partial forces
:FCA003:   3.ATOM                         0.000          0.000        121.864 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     0.000000000 partial forces
:FGL003:   3.ATOM                 0.000000000     0.000000000   121.864000000 partial forces