[QE-users] ghost like bands ?

Paolo Giannozzi p.giannozzi at gmail.com
Wed Feb 23 15:17:52 CET 2022


On Wed, Feb 23, 2022 at 3:14 PM Kazume NISHIDATE <nisidate at iwate-u.ac.jp>
wrote:

(Or does it mean that the projwfc.x could not recognize the f-state?)
>

projwfc.x recognizes f-states, as long as atomic f wavefunctions are
present in the pseudopotential file

Paolo


>
>
>
> 敬具
> Best regards
>
> ---
> 西館数芽
> Kazume NISHIDATE Ph.D
>
> Department of Systems Innovation Engineering,
> Graduate School of Science and Engineering, Iwate University
> 4-3-5 Ueda, Morioka, Iwate, 020-8551 JAPAN
> Phone:+81-19-621-6391
> kazume.nishidate at gmail.com <https://mailto:kazume.nishidate@gmail.com>,
> nisidate at iwate-u.ac.jp <https://mailto:nisidate@iwate-u.ac.jp>
> https://sites.google.com/site/nisidatelab/
>
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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