[Wannier] Reduced unit cell issues
Lex Kemper
kemper at qtp.ufl.edu
Wed Oct 8 21:03:27 CEST 2008
Hey everyone,
I'm attempting to calculate the Fermi surface / wannier band structure
for a body-centered tetragonal system. The bct system is the primitive
unit cell for one that I've calculated before, which is tetragonal (a =b
< c). The tetragonal system finishes fine -- I end up with a real
Hamiltonian. When I try the bct system, it always ends up complex. Any
suggestions?
Thanks,
Lex Kemper
University of Florida
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