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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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test of pull request #37

Closed eminamitani closed 6 years ago

eminamitani commented 6 years ago

I created fork of Inelastica in my account and merged the changes I made to sample of VCA calculation. This example include the creation of C 99.5 % and N 0.5 % potential and band structure using such potential.

tfrederiksen commented 6 years ago

Thanks Emi!

tfrederiksen commented 6 years ago

By the way, in 6b54d03cb95f2e588eedc1108863d552cec50fd0 I prepared a template in order to have your whole example also in the html documentation. Please see docs/examples/graphene_sic.rst.