:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00024:  24    0.127068    0.185949  2.00000000
:BAN00025:  25    0.162795    0.245529  2.00000000
:BAN00026:  26    0.198611    0.271133  2.00000000
:BAN00027:  27    0.249457    0.324948  2.00000000
:BAN00028:  28    0.270068    0.337169  2.00000000
:BAN00029:  29    0.275791    0.365711  2.00000000
:BAN00030:  30    0.275791    0.414580  1.99668409
:BAN00031:  31    0.358822    0.422495  1.85512904
:BAN00032:  32    0.358822    0.425526  1.70234980
:BAN00033:  33    0.396426    0.495874  0.27536330
:BAN00034:  34    0.397419    0.505111  0.17047377
:BAN00035:  35    0.458413    0.599277  0.00000000
:BAN00036:  36    0.462033    0.599293  0.00000000
:BAN00037:  37    0.612904    0.789512  0.00000000
:BAN00038:  38    0.625199    0.821019  0.00000000
:BAN00039:  39    0.705024    0.877732  0.00000000
        Energy to separate low and high energystates:   -0.04881


:NOE  : NUMBER OF ELECTRONS          =  64.000

:FER  : F E R M I - ENERGY(TETRAH.M.)=   0.40660




:POS001: AT.NR.  -1 POSITION = 0.75000 0.25000 0.50000  MULTIPLICITY =  2

       LMMAX  8
       LM=   0 0  2 0 -3 2  4 0  4 4 -5 2  6 0  6 4

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    13.245978
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL001: 0.3815 6.4334 6.3940 0.0293 2.1265 4.3068 0.0000 1.3918 1.3328 1.1995 2.4698 0.0000
        Q-s-low E-s-low   Q-p-low E-p-low   Q-d-low E-d-low   Q-f-low E-f-low
:EPL001:  0.0818 -0.4525    6.0583 -3.4272    0.0592 -0.4502    0.0058 -0.6787
        Q-s-hi  E-s-hi    Q-p-hi  E-p-hi    Q-d-hi  E-d-hi    Q-f-hi  E-f-hi 
:EPH001:  0.2997  0.0872    0.3751  0.2017    6.3348  0.3012    0.0235  0.2254
:VZZ001: EFG INSIDE SPHERE   1 =     0.627687      UP TO R =   2.41000




:POS002: AT.NR.  -2 POSITION = 0.25000 0.25000 0.26350  MULTIPLICITY =  2

       LMMAX 10
       LM=   0 0  1 0  2 0  3 0  4 0  4 4  5 0  5 4  6 0  6 4

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =    12.812932
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL002: 1.2019 1.575510.0215 0.0115 0.5464 1.0290 0.0000 2.0058 2.0064 2.0043 4.0049 0.0000
        Q-s-low E-s-low   Q-p-low E-p-low   Q-d-low E-d-low   Q-f-low E-f-low
:EPL002:  1.1364 -0.4111    0.0069 -0.6034    9.9622 -2.1989    0.0002 -2.5655
        Q-s-hi  E-s-hi    Q-p-hi  E-p-hi    Q-d-hi  E-d-hi    Q-f-hi  E-f-hi 
:EPH002:  0.0656  0.1474    1.5686  0.1645    0.0593  0.2809    0.0113  0.3204
:VZZ002: EFG INSIDE SPHERE   2 =    -4.967062      UP TO R =   2.14000




:POS003: AT.NR.  -3 POSITION = 0.25000 0.25000 0.84590  MULTIPLICITY =  2

       LMMAX 10
       LM=   0 0  1 0  2 0  3 0  4 0  4 4  5 0  5 4  6 0  6 4

:CHA003: TOTAL CHARGE INSIDE SPHERE   3 =     2.607693
:PCS003: PARTIAL CHARGES SPHERE =  3 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL003: 2.1893 0.3312 0.0692 0.0143 0.1372 0.1940 0.0000 0.0197 0.0205 0.0071 0.0220 0.0000
        Q-s-low E-s-low   Q-p-low E-p-low   Q-d-low E-d-low   Q-f-low E-f-low
:EPL003:  2.0194 -2.9702    0.0296 -0.4256    0.0085 -0.4415    0.0020 -0.5265
        Q-s-hi  E-s-hi    Q-p-hi  E-p-hi    Q-d-hi  E-d-hi    Q-f-hi  E-f-hi 
:EPH003:  0.1699  0.1394    0.3016  0.1890    0.0608  0.2139    0.0123  0.2235
:VZZ003: EFG INSIDE SPHERE   3 =    -0.130137      UP TO R =   2.50000

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      64.000000

:SUM  : SUM OF EIGENVALUES =         -93.378434837