Difference between revisions of "Yambopy tutorial: band structures"

From The Yambo Project
Jump to navigation Jump to search
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| 500 px |Band structure of BN calculated at the level of DFT-LDA]]
[[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| 500 px | Atomic orbital projected band structure of monolayer BN]]
[[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

Band structure of BN calculated at the level of DFT-LDA


Plot atomic orbital projected Band structure

Atomic orbital projected band structure of monolayer BN

Tutorial 2

Spin polarized band structure of iron calculated by DFT


Tutorial 3

Retrieved from "https://www.yambo-code.eu/wiki/index.php?title=Yambopy_tutorial:_band_structures&oldid=5620"