[Pw_forum] About Se pseudopotential

[Eyvaz Isaev]

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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