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Cleanup Chi0Mixing docstrings and timings #576

Merged
merged 3 commits into from
Feb 12, 2022
Merged

Cleanup Chi0Mixing docstrings and timings #576

merged 3 commits into from
Feb 12, 2022

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mfherbst
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@mfherbst mfherbst commented Jan 29, 2022

In my tests employing LdosMixing for potential-mixing SCF iterations actually works way worse than with density-mixing, which surprises me a bit. My suspicion it's got to do with the fact that we actually apply ε rather than ε^\dagger during the linear solve, such that we cannot benefit from the implict low-pass filtering done by the Hartree kernel. Any thoughts @antoine-levitt ?

Edit: I'll split the LdosMixing changes to another PR (#587) to get the the other misc. changes into master.

@mfherbst mfherbst changed the title Improve performance and generalise Chi0Mixing family of mixing methods Cleanup Chi0Mixing docstrings and timings Feb 12, 2022
@mfherbst mfherbst merged commit a1791f6 into master Feb 12, 2022
@mfherbst mfherbst deleted the Chi0Mixing branch February 12, 2022 19:01
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