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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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cenwanglai(½ð±Ò+1):hehe,ºÃµÄ½¨Òé.Èç¹û·½±ã»¹Çë¸øµãÌáʾ. 2010-05-25 08:46:00
dzhijie(½ð±Ò+1):лл 2010-05-25 08:56:17
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Originally posted by 163.com at 2010-05-25 07:37:36:
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[ Last edited by dzhijie on 2010-5-25 at 12:02 ]
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dzhijie(½ð±Ò+5):лл 2010-05-25 15:22:48
zzy870720z(½ð±Ò+1):ллÌṩ 2010-05-26 07:57:53
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Originally posted by stou at 2010-05-25 15:12:17:
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zzy870720z(½ð±Ò+1):лл½âÊÍ 2010-05-26 07:58:05
dzhijie(½ð±Ò+2):лл 2010-05-26 08:07:08
ÒýÓûØÌû:
Originally posted by dzhijie at 2010-05-25 15:26:55:


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ÒýÓûØÌû:
Originally posted by 163.com at 2010-05-26 06:46:59:


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