[xcrysden] BXSF file from VASP output for Fermi Surface

Tone Kokalj tone.kokalj at ijs.si
Mon Oct 31 07:53:40 CET 2011


On Sun, 2011-10-23 at 23:45 -0700, Darshana Wickramaratne wrote:
> Hello,
> 
> I am trying to generate the Fermi surface for different metallic and
> semi-metallic materials using data generated by VASP.  I have not come
> across a script that will generate a BXSF file from VASP data.  Would
> anyone be able to explain the required data that needs to be output to
> a BXSF file to generate a Fermi surface for any material.

Here is the description of the XSF format.
http://www.xcrysden.org/doc/XSF.html

Look specifically in this section, which describes the format of the
BXSF format:

http://www.xcrysden.org/doc/XSF.html#__toc__14

Regards, Tone

-- 
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
(tel: +386-1-477-3523 // fax:+386-1-477-3822)

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