[Pw_forum] 'hse' in pw run can not converges
giannozz at democritos.it
Sun Sep 23 22:27:23 CEST 2012
On Sep 21, 2012, at 19:43 , Bramha Pandey wrote:
> Can please give a clue to obtained the Al.pz-bhs.UPF (Al LDA with
> bhs funtionals essentially NormConversing) pseudopotential as i am
> very poor to generate it myself and not obtained it in pslibrary.
can you please write understandable sentences?
Al.pz-bhs.UPF = Aluminium, Perdew-Zunger functional (LDA),
Bachelet-Hamann-Schlueter: Phys.Rev. B 26, 4199 (1982)
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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