DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1        5.458040        0.000000    14883.039895    14888.497935
:RTO002:   2       39.255764        0.000000    34991.628515    35030.884279
:RTO003:   3       13.986696        0.000000        0.000000       13.986696
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    6.6667358
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       25.2451471
:NTO002: TOTAL   CHARGE IN SPHERE  2 =       30.8122218
:NTO003: TOTAL   CHARGE IN SPHERE  3 =        2.6076933

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    124.00000   123.99686     1.00003
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    6.6698279
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       25.2451409
:OTO002: TOTAL   CHARGE IN SPHERE  2 =       30.8122464
:OTO003: TOTAL   CHARGE IN SPHERE  3 =        2.6076988

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    124.00000   124.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0001013
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000354
:DTO003: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  3 =  0.0000103

:DIS  :  CHARGE DISTANCE       ( 0.0001013 for atom    1 spin 1)      0.0000490
:BIG check (qbig,qrms,qtot)    0.338D-04   0.440D-04   0.490D-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      6.89600 DISTAN   0.0000207
:CHARG:  CLM CHARGE   TOTAL      3.07322 DISTAN   0.0000216
:REDuction and DMIX in Broyd:    1.0999    0.2000
:INFO :  Dynamic rescale   0.404D+01
:INFO :  Number of Memory Steps    8 Skipping   19
:INFO :  Reduction   0.5837 Expected   0.4012 Next   0.3997 All   0.5755
:INFO :  Bounds         0.282D+00  0.200D+00  0.250D+00  0.200D+00
:DIRM :  MEMORY 8/8 RESCALE  4.040 RED    0.584 PRED  0.401 NEXT  0.400
:INFO :  DMIXM and Projections     0.200D+00  0.400D+00
:DIRP :  |BROYD|= 0.180D-03 |PRATT|= 0.691D-04 ANGLE=  12.6 DEGREES
:DIRB :  |BROYD|= 0.578D-03 |PRATT|= 0.224D-03 ANGLE=  20.7 DEGREES
       MSEC1 MIXING SCHEME WITH 0.200
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    6.6698401
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       25.2451507
:CTO002: TOTAL   CHARGE IN SPHERE  2 =       30.8122303
:CTO003: TOTAL   CHARGE IN SPHERE  3 =        2.6076989

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    124.00000   124.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -14165.864144

       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          3.181          0.000          0.000          3.181 partial forces
:FOR003:   3.ATOM         35.147          0.000          0.000        -35.147 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          3.181 partial forces
:FCA003:   3.ATOM                         0.000          0.000        -35.147 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     3.181000000 partial forces
:FGL003:   3.ATOM                 0.000000000     0.000000000   -35.147000000 partial forces