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----------------------------------------------------------------------- <-- SCF
SCF loop      Energy           Fermi           Energy gain       Timer   <-- SCF
                               energy          per atom          (sec)   <-- SCF
------------------------------------------------------------------------ <-- SCF
Initial  -4.53964391E+003  5.65342482E+001                        19.26  <-- SCF
      1  -4.79167281E+003  7.42260974E+000   4.20048171E+001      69.03  <-- SCF
      2  -4.97418220E+003  8.00730056E+000   3.04182316E+001     117.42  <-- SCF
      3  -4.97344525E+003  5.28927850E+000  -1.22826278E-001     182.65  <-- SCF
      4  -4.97355509E+003  5.77466766E+000   1.83082036E-002     252.56  <-- SCF
      5  -4.97377675E+003  5.54378056E+000   3.69430176E-002     323.13  <-- SCF
      6  -4.97364066E+003  5.79009381E+000  -2.26813616E-002     392.31  <-- SCF
      7  -4.97365151E+003  5.84360908E+000   1.80807504E-003     478.01  <-- SCF
      8  -4.97365026E+003  5.81663170E+000  -2.08941037E-004     555.03  <-- SCF
      9  -4.97365021E+003  5.80148079E+000  -8.87313930E-006     629.61  <-- SCF
     10  -4.97365011E+003  5.81080979E+000  -1.55705879E-005     691.88  <-- SCF
     11  -4.97365012E+003  5.81375268E+000   5.23334087E-007     743.60  <-- SCF
------------------------------------------------------------------------ <-- SCF
3Â¥2008-10-29 10:52:30
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Originally posted by jacky1092 at 2008-10-29 10:37:
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