[xcrysden] BXSF file from VASP output for Fermi Surface

[Darshana Wickramaratne]

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.

Looking at the bxsf files provided as examples with XCrysden, it is evident
that different energy eigenvalues around the Fermi energy are provided for
different bands.  Is there a specific row/column format the energy values
need to be specified in?

VASP outputs energy eigenvalues for different bands for each k-point within
the IBZ.  Which of these values do I then select to be included within a
BXSF file?

Any help would be greatly appreciated.

-- 
Darshana Wickramaratne
Ph.D Student
Dept. of Electrical Engineering, UC Riverside
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