[CPMD-list] Choose potential type
Axel Klix
aklix at utnl.jp
Tue Feb 22 03:51:39 CET 2005
Dear All,
I've been using cpmd for a while, but I'm still confused about how to
select a pseudopotential type (Goedecker etc.). What makes one choose
say a Goedecker potential instead of a Vanderbilt potential? (I
understand that Vanderbilt potentials allow a lower cutoff.) I hope I
didn't miss something obvious here :)
Best regards,
Axel
--
Axel Klix
University of Tokyo, NERL Tokaimura
Phone: +81 - (0)29-287-8918
email: aklix at utnl.jp
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