[Wien] WIEN2WANNIER
Rubel, Oleg
rubelo at mcmaster.ca
Fri Apr 16 22:09:55 CEST 2021
I would not expect any major problems. From the past experience: Compatibility issues (minor) usually arise when wannier90 developers change options in the input file case.win for wannier90.x This file is prepared by "write_win" and can be modified for compatibility. If you see any issues, please send it to this mailing list.
"x w2w" computes the overlaps Mmn and initial projections Amn, and writes them, together with
the eigenvalues En, to case.mmn, case.amn, and case.eig. These files should be fine for the new wannier90 version.
I hope it will help
Oleg
________________________________________
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of shahrbano rahimi <shahrbanorahimi60 at gmail.com>
Sent: Friday, April 16, 2021 13:18
To: wien at zeus.theochem.tuwien.ac.at
Subject: [Wien] WIEN2WANNIER
Dear all,
Is the following version of the Wannier90 interfaced to the Wien2k by the WIEN2WANNIER?
https://iopscience.iop.org/article/10.1088/1361-648X/ab51ff/meta
Thank you for your kind attention to this matter.
Best Regards,
Shahrbano Rahimi
More information about the Wien
mailing list