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robinzyb / cp2kdata

cp2k postprocessing tools
https://robinzyb.github.io/cp2kdata/
GNU Lesser General Public License v3.0
58 stars 18 forks source link

distinguish eg t2g orbitals #12

Closed guuuj closed 4 months ago

guuuj commented 1 year ago

Could the cp2kdata distinguish eg and t2g orbitals and plot the respective PDOS?

robinzyb commented 4 months ago

https://robinzyb.github.io/cp2kdata/docs/pdos/README.html#processing-single-pdos-file this can be achieved by custom selection of pdos data