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this sounds great! I think i speak for everyone when i say this would be a very welcome addition to |
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Finally got round to this 😅 |
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Not entirely sure where to post this, but just wanted to give an fyi that
easyunfold
has a VASPPROCAR
parser that can handle SOC and different VASP versions, as well as combining information from multiplePROCAR
s (e.g. from a split band structure calculation), which thepymatgen
currently can't do. Also with quite time-efficient parsing.Just in case this was desired functionality at any point, would be useful to know!
The object architecture is quite similar to the
pymatgen
one (just withproj_data
instead ofdata
as attributes etc).Beta Was this translation helpful? Give feedback.
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