[Pw_forum] local pseudopotentials

Paolo Giannozzi p.giannozzi at gmail.com
Thu Jun 29 09:32:04 CEST 2017


Hi Jiayu, what about these?
https://carter.princeton.edu/research/local-pseudopotentials/

Paolo

On Thu, Jun 29, 2017 at 8:33 AM, jiayu dai <jydai203 at 163.com> wrote:
> Dear QE developers and users,
>
> Could anyone give me some introduction about the local pseudopotentials. I
> want to do orbital-free calculations, which need local pseudopotentials. But
> usually we use non-local pseudopotentials in DFT. Could we change the psp
> file by hand or change the source file to reach this goal?
> With best wishes, and thanks in advance.
>
> Jiayu Dai
> Dept. Phys.
> National University of Defense Technology
>
>
>
>
>
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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



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