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fengpeicccc

新虫 (初入文坛)

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注册: 2011-08-17
性别: MM
专业: 理论和计算化学

[求助] 高斯计算总是这个结果是什么问题？

高斯计算总是出现这样子的情况，问题出在哪里呢？请各位帮忙看一看哦，不胜感激
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=982 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=983 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=984 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=985 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=986 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=987 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=988 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=989 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=990 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=991 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=992 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=993 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=994 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=995 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=996 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=997 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=998 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=999 NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CalDSu exits because no D1Ps are significant.
LinEq1:  Iter=*** NonCon=    1 RMS=0.00D+00 Max=0.00D+00
CPHF failed to converge in LinEq1.
Error termination via Lnk1e in /apps/chem/Gaussian/G09_C01/g09/l508.exe at Wed Feb  4 16:18:33 2015.
Job cpu time:  0 days 20 hours 20 minutes 37.7 seconds.
File lengths (MBytes):  RWF= 7880 Int=    0 D2E=    0 Chk= 140 Scr=    1
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