Bug fix for writing uHu and uIu matrices #97
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Bug fix for writing uHu and uIu matrices in pw2wannier90. The original code does not take into account the case of nonzero exclude_bands.
jryates
reviewed
Jan 31, 2017
mostofi
requested changes
Mar 27, 2017
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Thanks a lot for this - it looks good to me. I have one request: please could you send me an example test case (by email would be great -- see www.mostofigroup.org/contact) where this bug fix is needed so that we can add it to our list of tests? Ideally, it should be something that can run in < 2 minutes and does not need to be a physically meaningful calculation.
Thanks!
Arash
|
Pushing this into a separate branch where we can sort out various pw2wannier90 issues |
manxkim
pushed a commit
to manxkim/wannier90
that referenced
this pull request
Jan 10, 2021
Bug fix for writing uHu and uIu matrices
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Bug fix for writing uHu and uIu matrices in pw2wannier90. The original code does not take into account the case of nonzero exclude_bands.