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KIPZ with a guess value of alpha not running the minimization in the final scf calculation #228

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nscolonna opened this issue Sep 23, 2024 · 0 comments
Open

KIPZ with a guess value of alpha not running the minimization in the final scf calculation #228

nscolonna opened this issue Sep 23, 2024 · 0 comments
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nscolonna commented Sep 23, 2024 •
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When running a KIPZ without computing alpha, the final kipz calculation is run with do_outernloop=.false. (see attached example). I do not think this is the intended behaviour.
si.json
@nscolonna nscolonna self-assigned this Sep 23, 2024
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