Available PAW potentials: Difference between revisions

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(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.)
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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).
#REDIRECT [[Available pseudopotentials]]
The distributed PAW potentials have been generated by G. Kresse following the recipes discussed in {{cite|kresse:prb:99}}, whereas the PAW method has been first suggested and used by Peter Blöchl {{cite|bloechl:prb:94b}}.
If you use any of the supplied PAW potentials you should include these two references
 
== References ==
<references/>
 
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[[Category:PAW]][[Category:Howto]]

Latest revision as of 15:38, 11 June 2024

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