You may use pseudopotentials of different types Paolo
On Mon, Jul 4, 2016 at 8:46 AM, Suresh A <[email protected]> wrote: > Respected Sirs/Friends, > For anatase band structure calculation, I > used pseudopotential Ti with non-linear core correction and O without > nonlinear core correction. > Is it right to do such a band structure calculation? > > With Regards, > A.Suresh, > Research Scholar, > Madurai Kamaraj University, > Madurai. > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
