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[ÇóÖú] vasp¼ÆËã³öÏÖÕâÑùµÄ can't reach specified precision

VASP ¼ÆËã³öÏÖÕâÑùµÄ
DAV:  22    -0.144509734353E+03    0.18140E-03   -0.66991E-03 23376   0.432E-01    0.936E-02
DAV:  23    -0.144509974930E+03   -0.24058E-03   -0.15385E-03 22200   0.213E-01    0.581E-02
  WARNING: DENTET: can't reach specified precision
  Number of Electrons is NELECT =   112.999243976459     
DAV:  24    -0.144511078040E+03   -0.11031E-02   -0.11938E-03 22176   0.164E-01    0.542E-02
DAV:  25    -0.144510829380E+03    0.24866E-03   -0.43026E-04 23136   0.901E-02    0.682E-02
  WARNING: DENTET: can't reach specified precision
  Number of Electrons is NELECT =   113.001446579384     
DAV:  26    -0.144510022286E+03    0.80709E-03   -0.25565E-04 21824   0.900E-02BRMIX: very serious problems
the old and the new charge density differ
old charge density:   113.00001 new  113.00145
    0.528E-02
DAV:  27    -0.144511390038E+03   -0.13678E-02   -0.22417E-04 21584   0.755E-02BRMIX: very serious problems
the old and the new charge density differ
old charge density:   113.00145 new  113.00001
    0.290E-02
DAV:  28    -0.144511672593E+03   -0.28256E-03   -0.16295E-04 22080   0.599E-02    0.146E-02
DAV:  29    -0.144511823960E+03   -0.15137E-03   -0.57038E-05 21452   0.315E-02    0.118E-02
DAV:  30    -0.144511929756E+03   -0.10580E-03   -0.23931E-05 19028   0.242E-02    0.983E-03
DAV:  31    -0.144511964710E+03   -0.34954E-04   -0.64234E-06 18644   0.132E-02    0.662E-03
DAV:  32    -0.144512009264E+03   -0.44553E-04   -0.59722E-06 17708   0.889E-03    0.548E-03
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vasp¼ÆËã³öÏÖÕâÑùµÄ can't reach specified precision
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2Â¥: Originally posted by xuejing141 at 2013-06-20 20:09:33
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5Â¥: Originally posted by xuejing141 at 2013-06-21 08:08:47
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7¥: Originally posted by ůů67 at 2013-06-21 09:40:39
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