Available PAW potentials: Difference between revisions

Latest revision as of 15:38, 11 June 2024

Redirect to:

Revision as of 16:35, 9 February 2021 (view source) Karsai (talk \| contribs) No edit summary ← Older edit		Latest revision as of 15:38, 11 June 2024 (view source) Huebsch (talk \| contribs) (Major rewrite to split this gigantic page into how-to pages and overview pages. Basically we (Michael and Marie-Therese) created a whole category pseudopotentials based on the information.) Tag: New redirect
(77 intermediate revisions by 4 users not shown)
Line 1:		Line 1:
	PAW potentials for all elements in the periodic table are available. With the exception of the 1st row elements, all PAW potentials were generated to work reliably and accurately at an energy cutoff of roughly 250 eV (the default energy cutoff is read as {{TAG\|ENMAX}} in the [[~~POTCAR~~]] ~~file). If you use any of the supplied PAW potentials you should include a reference to {{cite\|kresse:prb:99}} and {{cite\|bloechl:prb:94b}}.~~		#REDIRECT [[Available pseudopotentials]]