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tfrederiksen / inelastica

Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT

https://tfrederiksen.github.io/inelastica

GNU Lesser General Public License v3.0

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Closed gft0965 closed 5 years ago

gft0965 commented 5 years ago

Calculates the characteristic length and the reduced mass of all vibrational modes

tfrederiksen commented 5 years ago

Hi Giuseppe, you need to commit specific changes to the already existing file (Phonons.py) and ask for these to be merged.