Subject: consultation,thank very much!

From: yong guo <guochengxing)at(yahoo.com.cn>
Date: Wed, 30 Jun 2004 20:11:37 +0800 (CST)

dear sir:
            firstly,thank for your help. the calculation in PCM model perhaps exceed the ability of my computer.I try the opt calculation in SCI-PCM 
model in the same method and basis in PCM model.however it failed. the error information is following:
>WARNING!  Serious error in surface integrals.
>Nuclear flux =    214.99 Qnuc =   218.00 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 e:\g03w\l502.exe at Tue Jun 29 16:41:38
2004.
>Job cpu time:  0 days  0 hours  3 minutes 30.0 seconds.
>File lengths (MBytes):  RWF=     46 Int=      0 D2E=      0 Chk=     1
Scr=
>     1
  according the clue on the error infromation, i used "Integral(Grid=UltraFine)"key word to increase integration points , but it failed again.perhaps another clue on the error infromation:different set of integration origins  can help us to solve the question. however the question is how to decide different set of integration origins ? may you give me some consuction?  thank for your generous help,havea nice time!
>                                                 your sincere :guoyong

>                                                            2004  6 30

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