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MO output in spin orbital coupling caculation
Date: 2013/09/28 23:15
Name:
YS Siew
<
ntuhpcjob@gmail.com
>
Dear All
When I do the MO output in Spin orbital coupling on simulation, the code always crash after SCF convergence reached. May I know is it a bug ?
Thanks
YSS
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Re: MO output in spin orbital coupling caculation
( No.1 )
Date: 2013/10/23 17:42
Name:
T. Ozaki
Hi,
I couldn't reproduce the crash under my computational environment.
If you do not mind, could you show me your input file?
Regards,
TO
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MO output in spin orbital coupling caculation
Re: MO output in spin orbital coupling caculation