[QE-users] Is pw2wannier90.f90 not up-to-date with the one in wannier90 source code?

[Hongyi Zhao]

Giovanni Pizzi <giovanni.pizzi at epfl.ch> 于2020年6月26日周五 上午12:48写道：
>
> Dear Hongyi,
>
> If you use the ‘develop’ branch of QE, the version you find in the git of QE is the most recent.

I've already on the ‘develop’ branch for both QE and wannier90 but
still I noticed the differences I posted here. See following for more
information:

werner at X10DAi-01:~/Public/hpc/tools/wannier90.git$ git branch
* develop
werner at X10DAi-01:~/Public/hpc/tools/wannier90.git$ git log | head -5
commit 2f4aed6a35ab7e8b38dbe196aa4925ab3e9deb1b
Merge: 7e1d806 5d872a9
Author: Giovanni Pizzi <giovanni.pizzi at epfl.ch>
Date:   Sun May 31 23:52:13 2020 +0200

werner at X10DAi-01:~/Public/hpc/q-e/q-e.git$ git branch
* develop
  master
werner at X10DAi-01:~/Public/hpc/q-e/q-e.git$ git log | head -5
commit d0b4a1129cad460ed0306b3579d7e9f472b4f162
Merge: f209acf62 a72b129b2
Author: giannozz <paolo.giannozzi at uniud.it>
Date:   Wed Jun 24 15:51:52 2020 +0000

werner at X10DAi-01:~/Public/hpc/q-e/q-e.git$ diff
PP/src/pw2wannier90.f90
../../tools/wannier90.git/pwscf/v6.5/pw2wannier90.f90 | wc
    422    1759   14680



>
> Here is the history:
> https://gitlab.com/QEF/q-e/-/commits/develop/PP/src/pw2wannier90.f90
> The new diff is in these two commits:
> https://gitlab.com/QEF/q-e/-/commit/6147076521a62437068100e6fa5a36898061a482
> https://gitlab.com/QEF/q-e/-/commit/ca5334bdb05e4fe85ec1eac182f352cddd365cd8
>
> If you use the released version 6.5, you might want to use the one from Wannier90 instead.
>
> In the Wannier90 repo we just keep patch versions to be applied to already released versions of QE, to ‘backport’ new functionality.
> The code in the develop branch of QE should be at the most recent version in general (so it’s included in future releases).
>
> Best,
> Giovanni
>
>
>
> --
> Giovanni Pizzi
> Theory and Simulation of Materials and MARVEL, EPFL
> http://people.epfl.ch/giovanni.pizzi
> http://nccr-marvel.ch/en/people/profile/giovanni-pizzi
>
> On 23 Jun 2020, at 06:55, Hongyi Zhao <hongyi.zhao at gmail.com> wrote:
>
> Hi,
>
> I noticed that the pw2wannier90.f90 in q-e is different from the one
> shipped with wannier90 source code:
>
> werner at X10DAi-01:~/Public/hpc/tools/wannier90.git/pwscf/v6.5$ diff
> pw2wannier90.f90 ../../../../q-e/q-e.git/PP/src/pw2wannier90.f90 | wc
>    422    1759   14680
>
> Should I replace it with the one in wannier90 while compiling q-e? Any
> hints for this problem?
> --
> Hongyi Zhao <hongyi.zhao at gmail.com>
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-- 
Hongyi Zhao <hongyi.zhao at gmail.com>