[xcrysden] New program for extracting quantum oscillation information from calculated Fermi surfaces

[Patrick Rourke]

Dear XCrysDen user community,

I would like to bring to your attention a new program for extracting
quantum oscillation frequencies and effective masses from calculated
Fermi surfaces. It also extracts the band contribution to the
electronic density of states (to facilitate comparison with specific
heat experiments).

This program is called the "Supercell K-space Extremal Area Finder"
("SKEAF"), and is written in Fortran 90. It reads band energies stored
in the BXSF format, which can be produced using WIEN2k and XCrysDen.

You can read about the algorithm in P.M.C. Rourke and S.R. Julian,
Computer Physics Communications 183, 324 (2012) (or on the arXiv at
http://arxiv.org/abs/0803.1895 ) -- please cite this paper if you use
SKEAF in your research.

The SKEAF source code and program instructions can be downloaded from
the WIEN2k "Unsupported software goodies" page (
http://www.wien2k.at/reg_user/unsupported/ ).

I hope you will find this code helpful in your calculations!

Best regards,

Dr. Patrick Rourke