Difference between revisions of "Yambopy tutorial: band structures"

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==Tutorial 3==
==Tutorial 3==
[[File:Figure 6-slope-scissor.png|400px|center]]
[[File:Figure 7-GW-band-structure-non-interpolated.png|400px|center]]
[[File:Figure 8-GW-band-structure-interpolated.png|400px|center]]
[[File:Figure 8-GW-band-structure-comparison.png|400px|center]]

Revision as of 20:37, 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


Iron band structure. Size is proportional to the weights of the projection on atomic d-orbitals. Red (blue) is up (down) spin polarization.
Figure 5-iron-bands-colormap.png

Tutorial 3

Figure 6-slope-scissor.png
Figure 7-GW-band-structure-non-interpolated.png
Figure 8-GW-band-structure-interpolated.png
Figure 8-GW-band-structure-comparison.png
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