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Bug when parsing LDA pseudopotential #847
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Andrew-S-Rosen
changed the title
Bug when parsing non-PBE pseudopotential
Bug when parsing LDA pseudopotential
Oct 6, 2023
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Problem
Trying to read in a VASP run with an LDA (i.e.
PAW
but notPAW_PBE
) pseudopotential causes a POTCAR parsing issue on emmet-core 0.69.6 and pmg 2023.10.4.I can't share a minimal example here due to proprietary reasons, but I can send one over Slack.
Proposed Solution
If the string label can't be split, assume LDA? I think?
Alternatives
No response
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