Rh/Mn basis sets, DeFT
- From: Damian Gregory Allis <dgallis -AatT- syr.edu>
- Subject: Rh/Mn basis sets, DeFT
- Date: Tue, 24 Feb 1998 02:53:42 -0500
Greetings all!
I've a quick one for somebody. I'm running some metal-containing boron
clusters through the DFT gauntlet with the DeFT package, and am having
difficulty setting up my basis sets for Rhodium and Manganese. If
anyone could help with the numbers AND the formatting of the numbers for
the program, it would be much appreciated. Also, if anyone is well
versed in DeFT (the package, not a misprint) in general, and is willing
to field some questions, please let me know.
thanks again,
Damian Allis
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