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g-vector reordering for strange cells #139

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elinscott opened this issue May 2, 2022 · 0 comments
Open

g-vector reordering for strange cells #139

elinscott opened this issue May 2, 2022 · 0 comments
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@elinscott @degennar @nscolonna
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Currently QE has a bug whereby the g-vectors can be reordered when cells are specified in a slightly inexact way. Once they fix this in the official QE version, we will need to apply the same fixes to kcp.

see https://gitlab.com/QEF/q-e/-/issues/230 and https://gitlab.com/QEF/q-e/-/merge_requests/1773
@elinscott elinscott added this to the v1.0 release milestone May 2, 2022
@elinscott elinscott changed the title k-points reordering for strange cells g-vector reordering for strange cells May 2, 2022
@elinscott elinscott removed this from the v1.0 release milestone May 4, 2022
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@elinscott @degennar @nscolonna