[xcrysden] Problem in Ploting Fermi-Surface

[Peter Blaha]

If I remember correctly, for WIEN2k_08.1 you would need an OLDER Xcrysden version.

Even more, I would recommend to upgrade WIEN2k !

Or run:

x kgen
x lapw1
x lapw2 -fermi
and get EF from case.scf2

Then use xcrysden and FS-plotting, but put in EF by hand.


潘登 schrieb:
> Dear Blaha,
> 
>        Thanks for your reply first.
>         I have tried to run it in the command line.But I have a question 
> about it.When I have done what has been listed in the pop-up window.How 
> can I got the fermi-surface with the current xcrysden? It still has the 
> same ERROR message while clicking the "render fermi surface".Or this is 
> a waste of time, I should get a version which matches.
>         I get the Wien2k version 2008.1, which version of XCrysDen shall 
> I use?
>         Thanks again.
> 
>        Have a nice day!
> 
> 
>          Pan Deng
>         Nanjing University
> 
> 
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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