PC GAMESS-related discussion club
Re: Selection of a Basis set for heavy metals like Ag and Au
Fumihito Mohri
qzg00677@nifty.com
Dear Mahesh Bhatt
First, please read the description of $BASIS in INPUT.pdf .
Second, you can get various basis functions in the following web site.
https://bse.pnl.gov/bse/portal>University of Tsukuba
Oh, you are in Japan. Then, the following web site written in Japanese may be helpful
for you.
http://blog.3016.net/2006/03/post_2.html#more
Best regards,
Fumihito Mohri
Sun Oct 12 '08
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