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) P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
