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     Atomic Populations (Mulliken)
     -----------------------------
Species   Ion     s      p      d      f     Total  Charge (e)  Spin (hbar)
===========================================================================
  B        1     1.21   2.46   0.00   0.00   3.68    -0.68        0.00
  B        2     1.21   2.46   0.00   0.00   3.68    -0.68        0.00
  Ni       1     0.50   0.69   8.90   0.00  10.09    -0.09       -0.11

[ Last edited by dzhijie on 2010-5-26 at 09:09 ]
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dzhijie(½ð±Ò+2):лл 2010-05-26 08:07:08
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