[Wannier] postw90-2.0.0 on top of wannier90-1.2

[Jonathan Yates]

On 9 May 2014, at 15:48, Hichem Ben Hamed <hichembhd at gmail.com> wrote:

> Dear All
> 
> 
> is it possible to run postw90 from the last version on top of results obtained by Abinit which  uses the version 1.2.

It isn’t. I can’t precisely remember why, but running postf90.x after an older version of wannier90.x won’t work. We assume you are running the same release of both wannier90 and postw90. 

I don’t use abinit, so you might have to help me with this - why does abinit use Wannier90 1.2? Is it because it is running wannier90 in library mode? If so can you not get it to write out the *.eig *.mmn *.amn files and run wannier90 v2.0 in stand-alone mode using those files? The format of the basic input files (i.e. *.eig *.mmn *.amn) have not changed since the 1st release.

 Two caveats:
   If you are running with spinors then there might be a compatibility issue with the nnkp file wannier90 generates. If that is the issue I should talk to the abinit developers to sort that out.
   If you want to use any of the berry phase or spin properties in postw90 then you will need abinit to create some extra files. I don’t know if these have been coded up for abinit - again something to check with the developers.

Jonathan





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