[Wannier] Problems with SPN formatted and gw2wannier.py

[Giovanni Pizzi]

Dear Marten,
Thanks a lot.
I’ve opened an issue to keep track of this problem and its solution

https://github.com/wannier-developers/wannier90/issues/293

Just one question - which version of the code did you use? Could you report directly in the issue?

Thanks,
Giovanni

--
Giovanni Pizzi
Theory and Simulation of Materials and MARVEL, EPFL
http://people.epfl.ch/giovanni.pizzi
http://nccr-marvel.ch/en/people/profile/giovanni-pizzi


On 26 Sep 2019, at 12:36, Marten Richter <marten.richter at tu-berlin.de<mailto:marten.richter at tu-berlin.de>> wrote:

Dear Wannier90 list,

for some reasons, I tried to use gw stuff from yambo with wannier and I
also needed spins.
I need to use the spn formatted option, since I am too stupid (or lazy)
to install the python package for FortranFile on the cluster.
So I tried to run gw2wannier90.py from the utility folder using spn
output with spn_formatted.

I ran into several issues and I am really wondering, if the spn
formatted output was tested.
Anyway I made a patch and I would be glad, if someone can look over it
(who has reference data for the unformatted option for testing)
and could integrate it.
(Special care necessary, since I can write in several programming
languages but not in python and I do not have really much data to check
the correct behaviour).
I hope, that this is the right mailing list.

Regards,

Marten Richter

--
------------------------------------------------------------
Dr. Marten Richter
Institut für Theoretische Physik
Technische Universität Berlin
Hardenbergstr. 36 Sekr. EW 7-1
D-10623 Berlin
Germany
------------------------------------------------------------
email: marten.richter at tu-berlin.de<mailto:marten.richter at tu-berlin.de>
Tel: +49-30-314-24858 (office)
Fax: +49-30-314-21130
http://www.itp.TU-Berlin.DE/knorr/

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