[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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