[Wien] Calculation of the size of Fermi surface

[EGUCHI Gaku]

Hello all,

Recently I installed BoltzTraP to calculate the transport values of
CaIrSi3, but I encountered the following message at the end of
case.outputtrans and cannot get the transport properties:
==============  End WIEN interface         ===============
  Input file read successfully
  NON-CENTROSYMMETRIC. ADDING i.


The case.outputtrans of CoSb3 (an example in tests/) is
==============  End WIEN interface         ===============
  Input file read successfully
  Finally! Starting Boltzmann calculation!
  Calling DOS.

I don't know why the program does not work in the case of 
non-centrosymmetric
compounds, but if someone knows how to deal with it, could you tell me?

Thanks in advance,
Gaku Eguchi

(12/02/06 2:13), EGUCHI Gaku wrote:
> Hello all,
>
> Recently I'm trying to find `the size of a Fermi surface' from the 
> result of
> a band calculation, since the paper :DOI:    10.1103/PhysRevB.19.4545
> demonstrates how to calculate Fermi velocity and mean free path from
> the value.
>
> If anyone know how to get the value from wien2k with XCrysDen, could
> you tell me how to do.
>
> Thanks in advance,
> Gaku Eguchi
>
>


-- 
------------------------------------------------------------------------
Gaku Eguchi
Department of Physics, Graduate School of Science, Kyoto University
Oiwake-cho, Kitashirakawa, Sakyou-ku, Kyoto 606-8502, Japan
Laboratory  TEL   : +81-75-753-3744
E-mail : geguchi at scphys.kyoto-u.ac.jp
http://www.ss.scphys.kyoto-u.ac.jp/index.html.en
------------------------------------------------------------------------