[Wien] wien2wannier for non-spinpolarized SOC cases
Elias Assmann
elias.assmann at gmail.com
Fri Oct 24 15:00:28 CEST 2014
Dear wien2wannier users,
There is a minor problem in the ‘wannier90’ script for cases with
spin-orbit coupling but without spin polarization. It looks for ‘eigup’
and ‘eigdn’ files which do not exist. The easiest solution is simply to
copy the ‘eig’ file:
$ x w2w -so -up && x w2w -so -dn
$ cp CASE.eig CASE.eigup
$ cp CASE.eig CASE.eigdn
$ x wannier90 -so
--
Elias Assmann (TU Wien)
Wien2Wannier: maximally localized Wannier functions
from linearized augmented plane waves
<http://www.ifp.tuwien.ac.at/forschung/arbeitsgruppen/cms/software-download/wien2wannier/>
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