[Wannier] Issue with wannier90. SHC calculations

[SHUBHAM PATEL]

Dear all,

I am a VASP user. Using the wannier90.win file which is available in
example29, I am also facing the issue  with SHC calculation. I am using
wannier90 version "wannier90-3.1.0". The error in wannier90.wout file is
saying   *Error: value of berry_task not recognised in param_read. *

 This is what I'm trying to do:

   1. First I am creating a WAVECAR file from a regular SCF VASP run.
   2. I copy WAVECAR to another directory along with other VASP input files
   and INCAR I use LWANNIER90 = .TRUE. tag to create necessary files. In this
   case if I use the tags necessary for SHC calculation it is showing me above
   mentioned error. But if I use simple wannier90.win file with the berry_task
   and all, the necessary input files are created successfully.
   3. Here I create input files for post-processing with simple
   wannier90.win, add necessary commands given in exampple29 to calculate SHC
   for my system and use other created files in another directory.
   4. I make another directory and copy all wannier90.* files and run the
   usual "*wannier90.x wannier*" to calculate SHC. But it returns the
error *Error:
   berry_task=shc and shc_method is not set. *
   5.  I checked in wannier90.win file that *berry_task = eval_shc.*
   6. This error should not appear as I am using the latest wannier90
   version.
   7.  I also checked with an another github thread
   https://github.com/wannier-developers/wannier90/archive/develop.zip  *But
   this is also not working.*
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20220121/17362579/attachment.html>