Gr/SiC sample for two different tip positions

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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Gr/SiC sample for two different tip positions #41

Closed eminamitani closed 6 years ago

eminamitani commented 6 years ago

I have tested the input files for position1 and position2. They seems OK. siesta, transiesta calculations (CGrun, TSrun) show slow convergence, and there might be better choice for some parameters related to convergence.

tfrederiksen commented 6 years ago

Great! Thanks, Emi!