[gpaw-users] : RuntimeError: Ghost!
Ask Hjorth Larsen
askhl at fysik.dtu.dk
Sat Nov 13 22:16:00 CET 2010
Hi Yuelin
On Sat, 13 Nov 2010, Yuelin Li wrote:
> Hi Ask,
>
> Thanks. I will read the paper to understand the issue. On the other hand, I
> wonder if you have a quick fix for the current script, i.e., the "some other
> parameters" that can be used. Thanks,
>
> Best,
>
> Yuelin
Unfortunately the best advice I can give is to look at the setups of
elements with similar electron configurations. It's non-trivial to
generate pseudopotentials and PAW setups. I don't know whether the
article really provides any solutions, but it does explain what the issue
is.
Regards
Ask
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