[Q-e-developers] Incorrect treatment of time-reversal symmetry with SO in EXX

[H. Lee]

I am very sorry. I mistakenly missed the title of my question.

Sincerely,

Hyungjun Lee
Postdoc in EPFL

On Fri, Oct 28, 2016 at 10:50 AM, H. Lee <hjunlee at gmail.com> wrote:

> Dear developers:
>
> I already reported some issue related to the EXX routine with spin-orbit
> interaction as below:
> http://qe-forge.org/pipermail/pw_forum/2016-October/111131.html
>
> In summary, when considering time-reversal symmetry (TRS) under spin-orbit
> interaction (SOI), currently this effect is not considered; in the case of
> non SOI,
> TRS is considered in the form of conjg(psic(1:nrxxs)).
>
> In order to confirm it, I made some test in aligning my routine for
> topological number calculation to QE v6.0 by checking the results between
> the full k grids and the reduced k grids and also checking
> the normalisation after symmetrisation.
>
> Sincerely,
>
> Hyungjun Lee
> Postdoc in EPFL
>
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