[CPMD-list] Goedecker psudopotential cutoffs

Audrius Alkauskas audrius.alkauskas at unibas.ch
Mon Dec 2 14:59:23 CET 2002


Sorry for previous incorrect mail.

Dear all

1. What are recommended cutoffs with Goedecker LDA pseudopotentials for: Ag
(silver), B (boron), Cl (chlorine), N (nitrogen), C (carbon), H (hydrogen)?

2. I am doing now silver cluster intracting with big molecule. Is it wise to
use finite-temperature methods for just 4 silver atoms?

Audrius




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