[Pw_forum] Pseudopotential Doubt:Reg

[Paolo Giannozzi]

You may use pseudopotentials of different types

Paolo

On Mon, Jul 4, 2016 at 8:46 AM, Suresh A <suresh2007pgp19 at gmail.com> 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.
>
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-- 
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