Yambopy tutorial: band structures: Difference between revisions
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'''Plot Band structure''' | '''Plot Band structure''' | ||
[[File:Bands BN 1.png|Band structure of BN calculated at the level of DFT-LDA]] | [[File:Bands BN 1.png| 500 px |Band structure of BN calculated at the level of DFT-LDA]] | ||
'''Plot atomic orbital projected Band structure''' | '''Plot atomic orbital projected Band structure''' | ||
[[File:Bands AOP BN 1.png| | [[File:Bands AOP BN 1.png| 500 px | Atomic orbital projected band structure of monolayer BN]] | ||
Revision as of 19:37, 1 April 2022
The full tutorial, including the Quantum espresso and Yambo databases that we will read, can be downloaded and extracted from the yambo website:
$wget www.yambo-code.org/educational/tutorials/files/databases_qepy.tar $tar -xvf databases_qepy.tar $cd databases_qepy
Tutorial 1. BN (semiconductor). Band structure
Plot Band structure
Plot atomic orbital projected Band structure
