Modification needed for SAWF in Wannier library mode.

[sponce24]

The .dmn file needs to be read.

[codecov[bot]]

Codecov Report

:exclamation: No coverage uploaded for pull request base (develop@528a67f). Click here to learn what that means. The diff coverage is n/a.

:exclamation: Current head 256b864 differs from pull request most recent head e61ce19. Consider uploading reports for the commit e61ce19 to get more accurate results

@@            Coverage Diff             @@
##             develop     #342   +/-   ##
==========================================
  Coverage           ?   66.40%           
==========================================
  Files              ?       29           
  Lines              ?    17992           
  Branches           ?        0           
==========================================
  Hits               ?    11948           
  Misses             ?     6044           
  Partials           ?        0           

Impacted Files	Coverage Δ
src/disentangle.F90	81.00% <ø> (ø)
src/hamiltonian.F90	48.34% <ø> (ø)
src/io.F90	60.46% <ø> (ø)
src/parameters.F90	83.06% <ø> (ø)
src/plot.F90	49.40% <ø> (ø)
src/postw90/berry.F90	76.27% <ø> (ø)
src/postw90/get_oper.F90	64.58% <ø> (ø)
src/postw90/kpath.F90	63.69% <ø> (ø)
src/postw90/kslice.F90	68.95% <ø> (ø)
src/postw90/postw90_common.F90	68.86% <ø> (ø)
... and 6 more

---

Continue to review full report at Codecov.

Legend - Click here to learn more Δ = absolute <relative> (impact), ø = not affected, ? = missing data Powered by Codecov. Last update 528a67f...e61ce19. Read the comment docs.

[hjunlee]

Hello, Samuel:

Regarding SLWF, please see the comment at https://github.com/wannier-developers/wannier90/pull/287#issuecomment-526352354 . Regarding SAWF, if you have in mind the use of SAWF in EPW, I think that dmn files should be calculated in EPW in order to make sure the gauge consistency.

Sincerely,

Hyungjun Lee

[sponce24]

Hello Hyungjun,

For SLWF, it seems to work to constrain all centers (I tested it). The reason that they never constrained all centers is due to their DEFT-based application. Therefore it think it would not hurt to allow it (potentially with a Warning message).

For SAWF, the fix is needed for any code using w90 in library mode. I also tried using it with EPW indeed. It also seems to work but I agree it would be better to compute it internally, but this is a different question that we can solve in the EPW repo.

Best, Samuel

[jryates]

Samuel - apologies for the delay in looking at this PR.

Could you let us know if you would still like this merged (and maybe answer Giovanni's question). If so we will probably merge when we have a coding meeting on the 4th August.