[Wien] Ghost bands problem

[Laurence Marks]

Without more information nobody can help you.

_____
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu

On Sat, Feb 29, 2020, 06:14 姜若诗 <ruoshijiang at sjtu.edu.cn> wrote:

> Dear experts,
>
>
>
> I got stuck on the problem when I do the supercell calculation of heavy
> elements Nd.
>
> The normal cell calculation is everything good, but it supercell
> calculation, the ghost band showed up in lapw2.
>
> -------------------------------error message---------------------------
>
> 'LAPW2' - semicore band-ranges too large, ghostbands ?
>
>
> -----------------------------------------------------------------------------
>
>
>
> Do you know how to fix it ?
>
> Looking forward to your reply. Thank you very much.
>
>
>
> Best,
>
> Jasmine
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