[QE-users] QE + Wannier90 + problem with spn file

Arena Konta qe6user at gmail.com
Tue Jan 26 21:02:06 CET 2021


Dear QE Users

I have a problem with spn files. I prepared calculations with various version of QE (6.6, 6.5, 6.2.1) with p2wannier90 and wannier90 (version 3.1). Everything seems to be ok, expect, when I run postwannier90 app I got error:

* Energy bands in eV, coloured by SHC

   * Berry curvature-like term for spin Hall conductivity in Ang^2

 Reading overlaps from Wannier.mmn in get_AA_R   :  Created on 26Jan2021 at 17: 3:27

 Reading spin matrices from Wannier.spn in get_SS_R : reated on 26Jan2021 at 17: 31: 3
      34     1000
  0.8621686762
 Exiting.......
 Error: Problem reading input file Wannier.spn


What can be wrong with this file? I did diffrent calculations using ELK and the same wannier90 library, and everything seems to be also OK.


-- 
with regards
 
Arena Konta
The Institute of Thermophysics in Novosibirsk Scientific Center



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