[Wien] [SPAM maybe] Re: WIEN2WANNIER

[Jindrich Kolorenc]

> These files should be fine for the new wannier90 version.

I can confirm that wien2wannier bundled with Wien2k 19.1/19.2 works fine with Wannier90 versions 3.0.0 and 3.1.0, which are the versions referred to below.

Jindrich Kolorenc


> On 16 Apr 2021, at 22:09, Rubel, Oleg <rubelo at mcmaster.ca> wrote:
> 
> 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
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