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

Seonghoon Jang jss2142 at gmail.com
Sun Oct 15 11:02:22 CEST 2017


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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