[Wannier] only zero amn with --enable-xml flag and SOC scheme

Seonghoon Jang jss2142 at gmail.com
Sun Oct 22 13:30:37 CEST 2017


Dear all,

There was no such a bug (zero Amn's with SOC, and with QE configured
--enable-xml) in QE6.2.
Maybe the quantum espresso team debugged xml issues.
Sorry for bothering!


Sincerely,
Seong-Hoon Jang

==========================
Seong-Hoon Jang (D1)

Motome Group,
Department of Applied Physics,
University of Tokyo, Hongo 7-3-1,
Bunkyo-ku, Tokyo 113-8656, JAPAN
TEL +81-70-2193-3176

On Sun, Oct 15, 2017 at 6:02 PM, Seonghoon Jang <jss2142 at gmail.com> wrote:
> Dear All,
>
> As following the example 18 (in Wannier90),
> I have just found pw2wannier90.x produces only zero components for amn
> file in noncollinear (SOC) case
> with qe-6.1 installed with --enable-xml flag ("./configuration").
>
> Otherwise (without --enable-xml flag), it works fine.
>
> Since I have performed my own calculation (not example 18) with --enable-xml,
> I would like to create Wannier function directly from my qe-6.1 output files,
> rather than redo the initial scf calculation without --enable-xml.
>
> Any advice for an emergency prescription?
> Thanks in advance.
>
>
>
>
> Sincerely,
> Seong-Hoon Jang
>
> ==========================
> Seong-Hoon Jang (D1)
>
> Motome Group,
> Department of Applied Physics,
> University of Tokyo, Hongo 7-3-1,
> Bunkyo-ku, Tokyo 113-8656, JAPAN
> TEL +81-70-2193-3176


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