[gpaw-users] : RuntimeError: Ghost!

[Yuelin Li]

Ask,

thanks. You are suggesting that one has to re-generate the 
pseud-potential for Ca? I think each element is unique in this sense how 
can parameters for other elements helpful? And what elements do you have 
in mind?

Best,

Yuelin

On 11/13/2010 3:16 PM, Ask Hjorth Larsen wrote:
> 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