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ludeng8710

гæ (СÓÐÃûÆø)

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#p irc(calcfc,maxpoint=10) scf=(maxcyc=400) uwb97xd/3-21g
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CORRECTOR INTEGRATION CONVERGENCE:
   Recorrection delta-x convergence threshold:    0.010000
   Delta-x Convergence NOT Met
Maximum number of corrector steps exceded.
Error termination via Lnk1e in /home/gan/g09/l123.exe at Tue Oct 25 04:07:36 2011.
Job cpu time:  0 days 14 hours 47 minutes 14.8 seconds.
File lengths (MBytes):  RWF=    171 Int=      0 D2E=      0 Chk=     11 Scr=      1
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xj544

ľ³æ (СÓÐÃûÆø)

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zhou2009(½ð±Ò+2): 2011-10-27 16:45:16
ludeng8710(½ð±Ò+125): лл~ 2011-10-28 15:45:43
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#p irc(calcfc,maxpoint=10,maxcyc=400) scf=(maxcyc=400) uwb97xd/3-21g
7Â¥2011-10-27 16:18:47
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emmaxue

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Сºì¶¹(½ð±Ò+2): лл 2011-10-26 18:51:24
ludeng8710(½ð±Ò+5): лл~ 2011-10-28 15:45:58
Maximum number of corrector steps exceded.
Õâ¸ö¹À¼ÆÊÇ´íÎóµÄÔ­Òò°É
itisnotprettysimple.
2Â¥2011-10-26 16:33:15
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

huakai8710

гæ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by emmaxue at 2011-10-26 16:33:15:
Maximum number of corrector steps exceded.
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3Â¥2011-10-26 21:14:33
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dreamyeye

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