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" <[email protected]> wrote: > Dear Ashkan > not necessary but strongly recommended > Best, > Dario Rocca > > On Thu, Nov 24, 2016 at 2:08 PM, ashkan shekaari <[email protected]> > 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 >> [email protected] >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
