[Wannier] Symmetry-adapted Wannier functions with spin-orbit coupling

Dingfu Shao dingfu.shao at gmail.com
Wed Jun 7 22:25:37 CEST 2017

Dear all,

 I am trying to get symmetry-adapted Wannier functions with spin-orbit
coupling. However, when I try to get seedname.dmn from pw2wannier90.x, it

“Error in routine compute_dmn (1):      Non-collinear not implemented”

So it seems we cannot get the symmetry-adapted Wannier functions with SOC
in the current version.

Without symmetry, some symmetry protected band degenerates will be gapped
in the w90 derived band structure. Is there any solution of such problem?

Thank you!


*Ding-Fu Shao, Ph. D.*

*Department of Physics and Astronomy, University of Nebraska-Lincoln*

*Lincoln, NE **68588-0299*

*Email: dingfu.shao at gmail.com <dingfu.shao at gmail.com>*
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