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

[Giovanni Pizzi]

Dear Hongyi,

If you use the ‘develop’ branch of QE, the version you find in the git of QE is the most recent.

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<mailto: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<mailto:hongyi.zhao at gmail.com>>
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