Dear Dario, Thank you so much for your quick response. But how could I generate a blyp pseudo potential for Mo? There does not exist such a file in QE download page.
On Nov 24, 2016 7:16 PM, "dario rocca" <roc...@gmail.com> wrote: > Dear Ashkan > not necessary but strongly recommended > Best, > Dario Rocca > > On Thu, Nov 24, 2016 at 2:08 PM, ashkan shekaari <sheka...@gmail.com> > wrote: > >> Dear experts, >> >> is it necessary to use blyp pseudopotentials when input_dft is set to >> blyp? >> *--* >> *Regards,* >> *Ashkan Shekaari* >> *Plasma Physics Research Center* >> *Science and Research Branch* >> *I A U, 14778-93855 Tehran, Iran.* >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum@pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
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