[Pw_forum] About Se pseudopotential
Eyvaz Isaev
eyvaz_isaev at yahoo.com
Mon Sep 20 10:51:54 CEST 2004
Hi,
This usually means that r_c you used are not suitable.
I can generate it for our community in few days. I
prefer to do some tests after generation.
Best regards,
Eyvaz.
--- xianghjun <xhongjun at mail.ustc.edu.cn> wrote:
> Dear all:
> Does anyone have the PBE pseudopotential for Se
> (uspp pseudopotential
> is better)?
> I have tried the Vanderbilt code (version 735), but
> failed.
> The error is the following:
> *** error: unreasonable q eigenvalues
>
> I used the input files provided with uspp735 package
> with some minor
> modifications.
> The system I used is pgf77+linux, and I also tried
> g77 and failed again.
> Any comments are welcome.
>
> Best Regards,
> xianghjun
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