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[交流] 【求助】PCM计算出错，大家帮忙看看怎么解决？

PCM计算出错，大家帮忙看看怎么解决？谢谢！

WARNING!  Serious error in surface integrals.
Nuclear flux = 151.63 Qnuc = 154.00 Error in int =    0.00
It is probable that some of the solute is outside the cavity and/or
parts of the cavity surface cannot be reached from the origin.
Try more integration points or a different set of integration origins.

Surface Problems in SciFoc
Error termination via Lnk1e in /home/yebing/g03/l502.exe at Thu Jul 23 11:07:41 2009.
Job cpu time:  0 days  0 hours  3 minutes 35.2 seconds.
File lengths (MBytes):  RWF=    47 Int=    0 D2E=    0 Chk=    1 Scr=    1

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