DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1     3518.005331        0.000000  7235096.691666  7238614.696997
:RTO002:   2       15.031394        0.000000      304.051702      319.083096
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    3.1970082
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       87.8895454
:NTO002: TOTAL   CHARGE IN SPHERE  2 =        8.5373885

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    108.00000   108.16133     0.99851
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    3.0361554
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       87.8890668
:OTO002: TOTAL   CHARGE IN SPHERE  2 =        8.5373889

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    108.00000   108.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0005399
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0000475

:DIS  :  CHARGE DISTANCE       ( 0.0005399 for atom    1 spin 1)      0.0002116
:BIG check (qbig,qrms,qtot)    0.180D-03   0.222D-03   0.212D-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     12.74086 DISTAN  0.138D-02 % 
:CHARG:  CLM CHARGE   TOTAL     14.60721 DISTAN  0.926D-03 % 
:REDuction and DMIX in Broyd:    1.0996    0.2000
:INFO :  Dynamic rescale   0.195D+01  0.100D+01  0.500D+01
:INFO :  Number of Memory Steps    8 Skipping  162
:INFO :  Bounds         0.130D+00  0.200D+00  0.229D+00  0.130D+00
:DIRM :  MEMORY 8/8 RESCALE  1.946 RED  0.085 PRED  0.043 NEXT  0.436
:INFO :  DMIXM and Projections     0.130D+00  0.436D+00
:DIRP :  |BROYD|= 0.922D-03 |PRATT|= 0.248D-03 ANGLE=  18.3 DEGREES
:DIRB :  |BROYD|= 0.302D-02 |PRATT|= 0.855D-03 ANGLE=  30.7 DEGREES
       MSEC1 MIXING SCHEME WITH 0.130
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    3.0359894
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       87.8891474
:CTO002: TOTAL   CHARGE IN SPHERE  2 =        8.5374316

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    108.00000   108.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -56468.12763955