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.rich...@tu-berlin.de<mailto:marten.rich...@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.rich...@tu-berlin.de<mailto:marten.rich...@tu-berlin.de> Tel: +49-30-314-24858 (office) Fax: +49-30-314-21130 http://www.itp.TU-Berlin.DE/knorr/ ------------------------------------------------------------ <spnfix.patch>_______________________________________________ Wannier mailing list Wannier@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/wannier
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