[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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