DENSITY AT NUCLEUS
        JATOM    VALENCE       SEMI-CORE            CORE           TOTAL

:RTO001:   1    16766.544442        0.000000 34740273.439107 34757039.983549
:RTO002:   2       15.253000        0.000000      304.082788      319.335788
     
       CHARGES OF NEW CHARGE DENSITY
:NTO  : TOTAL   INTERSTITIAL CHARGE=    2.9402432
:NTO001: TOTAL   CHARGE IN SPHERE  1 =       88.3658901
:NTO002: TOTAL   CHARGE IN SPHERE  2 =        8.6905882

:NEC01: NUCLEAR AND ELECTRONIC CHARGE    100.00000    99.99672     1.00003
     
       CHARGES OF OLD CHARGE DENSITY
:OTO  : TOTAL   INTERSTITIAL CHARGE=    2.9433804
:OTO001: TOTAL   CHARGE IN SPHERE  1 =       88.3663358
:OTO002: TOTAL   CHARGE IN SPHERE  2 =        8.6902838

:NEC02: NUCLEAR AND ELECTRONIC CHARGE    100.00000   100.00000     1.00000
     
       CONVERGENCE TEST
:DTO001: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  1 =  0.0004082
:DTO002: TOTAL   DIFFERENCE CHARGE**2 IN SPHERE  2 =  0.0002808

:DIS  :  CHARGE DISTANCE       ( 0.0004082 for atom    1 spin 1)      0.0003445
:BIG check (qbig,qrms,qtot)    0.136D-03   0.248D-03   0.345D-03
:REDuction and QMX before broyd:    1.0000    1.0000    0.2000
:PLANE:  INTERSTITAL DISTANCE  0.0010095
:DIRB :  |BROYD|= 0.852D-03 |PRATT|= 0.113D-02 ANGLE= 115.4 DEGREES
       MSR1  MIXING SCHEME WITH 0.200
     
       CHARGES OF MIXED CHARGE DENSITY
:CTO  : TOTAL   INTERSTITIAL CHARGE=    2.9433585
:CTO001: TOTAL   CHARGE IN SPHERE  1 =       88.3663366
:CTO002: TOTAL   CHARGE IN SPHERE  2 =        8.6903049

:NEC03: NUCLEAR AND ELECTRONIC CHARGE    100.00000   100.00000     1.00000


:ENE  : ********** TOTAL ENERGY IN Ry =       -56317.05290005