Add vibrational properties #11
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Hi @v1kko this PR is ready, what do you think? |
v1kko
approved these changes
Jun 22, 2023
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Looks good, but keep in mind that we have to change the structure around a bit still.
Of course the added plot functions will stay mostly the same so those are great!
The name (probably will) change as well in the future, so you don't have to change it now (unless you are really annoyed by CAPITALS 😛 ).
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Cheers, no worries about changing the structure! And yes, I'm already super annoyed by the CAPITALS. Already too many times I have had |
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This PR reads some more variables from the
vasprun.xmland calculates the vibrational properties.Todo
meanfreqfunctionPlots