Yambopy tutorial: band structures: Difference between revisions
Jump to navigation
Jump to search
No edit summary |
No edit summary |
||
| Line 4: | Line 4: | ||
$tar -xvf databases_qepy.tar | $tar -xvf databases_qepy.tar | ||
$cd databases_qepy | $cd databases_qepy | ||
==Tutorial 1== | |||
'''Tutorial 1. BN (semiconductor). Band structure''' | '''Tutorial 1. BN (semiconductor). Band structure''' | ||
| Line 10: | Line 12: | ||
'''Plot Band structure''' | '''Plot Band structure''' | ||
[[File:Bands BN 1.png| | [[File:Bands BN 1.png| 400 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| 400 px | Atomic orbital projected band structure of monolayer BN]] | ||
==Tutorial 2== | |||
[[File:Figure 3-iron-bands.png| 400 px |Spin polarized band structure of iron calculated by DFT]] | |||
==Tutorial 3== | |||
Revision as of 19:59, 2 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
Tutorial 1. BN (semiconductor). Band structure
Plot Band structure
Plot atomic orbital projected Band structure
Tutorial 2
