[Wannier] symmetry in Boltzwann

[Bin Xu]

Hello,

I am a new user of wannier and Boltzwann. Recently I calculated the Fermi
surface and conductivity of the tetragonal phase of SrTiO3. Overall the
results are very nice, but I see one minor issue, i.e. the in-plane
components of the conductivity tensor (sigma_xx and sigma_yy) are not fully
symmetric. The difference is not very much (can be as large as a few
percent), but it would be better to know if this is caused by my faulty
usage (input etc...) or symmetrization of the code.

I use abinit (wannier 1.2) to generate the inputs for wannier and
boltzwann, then run in stand alone mode (wannier 2.0) for the FS and
transport. I've checked that the eig file is perfectly symmetric and the FS
is also symmetric. It seems the tetragonal symmetry is only slightly broken
in boltzwann.

Thanks in advance!
Bin Xu
-- 

University of Arkansas
Physics Department
Fayetteville, AR 72701
USA

Tel: 479-575-2019
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