[Wien] wien2wannier for non-spinpolarized SOC cases
Zhu, Jianxin
jxzhu at lanl.gov
Fri Oct 24 17:56:20 CEST 2014
Hi Elias,
In the earlier versions, I did
$x w2w -so
$cp CASE.eig CASE.eigup
$cp CASE.eig CASE.eigdn
Will it work still?
Jianxin
On 10/24/14 7:00 AM, "Elias Assmann" <elias.assmann at gmail.com> wrote:
>Dear wien2wannier users,
>
>There is a minor problem in the Œwannier90¹ script for cases with
>spin-orbit coupling but without spin polarization. It looks for Œeigup¹
>and Œeigdn¹ files which do not exist. The easiest solution is simply to
>copy the Œeig¹ file:
>
>$ 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-downloa
>d/wien2wannier/>
>
>_______________________________________________
>Wien mailing list
>Wien at zeus.theochem.tuwien.ac.at
>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>SEARCH the MAILING-LIST at:
>http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
More information about the Wien
mailing list