[Wien] 2D slice of the Fermi Surface

M. Ogawa ogawa at eedept.kobe-u.ac.jp
Thu Dec 11 15:14:26 CET 2008


Dear Prof. Blaha:

thank you very much for your prompt reply.
I'll try.

Kind regards,
Matthew

> There is a fsgen module in WIEN2k, see UG.
> 
> It is not perfect and maybe some steps in editing are not so clear, but 
> it works reasonably.
> 
> Mat Ogawa schrieb:
>> Dear all:
>>
>> Could anyone teach me how to draw 2D slice of the Fermi Surface (FS) on 
>> Wien2k?
>>
>> As far as I can remember, Xcrysden enabled me to generate 3D FS of any 
>> branch, but, as for 2D slice of FS, I had to manage to make a case.klist 
>> corresponting to a specific plane under consideration and run lapw1 and 
>> lapw2 consecutively on Wien97.
>>
>> I think of a way to extract 2D data from a 3D BXSF file saved in the 
>> Xcrysden FS routine and make an appropriate code to draw the 2D slice or 
>> transfer a file similar to the XSF and use Xcrysden density plot --- but 
>> a bit tiresome. Am I demanding?
>>
>> Thank you in advance,
>> Regards,
>>
>> Matthew
>>
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