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     95  -4.72349763E+004                   -1.12264784E-003    9741.14  <-- SCF
     96  -4.72349727E+004                   -1.12150923E-004    9769.38  <-- SCF
     97  -4.72349718E+004                   -2.88107291E-005    9797.77  <-- SCF
     98  -4.72349776E+004                    1.81980503E-004    9825.83  <-- SCF
     99  -4.72349732E+004                   -1.37500550E-004    9851.94  <-- SCF
    100  -4.72349683E+004                   -1.51637597E-004    9879.81  <-- SCF
------------------------------------------------------------------------ <-- SCF
*Warning* max. SCF cycles performed but system has not reached the groundstate.
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fangyongxinxi(½ð±Ò+10): 2011-10-26 08:39:54
fangyongxinxi(½ð±Ò+20): 2011-10-28 08:52:57
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