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
33 stars 16 forks source link

SetupOSrun fix for recent siesta versions: TS.S.Save and lua #54

Closed jonaslb closed 5 years ago

jonaslb commented 5 years ago

The options changed names and there would be lua-errors if it was used for relaxation.