Yambopy tutorial: band structures: Difference between revisions

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[[File:Figure 4-iron-bands-size-d-orbitals.png|400px|center|Iron band structure. Size is proportional to the weights of the projection on atomic d-orbitals. Red (blue) is up (down) spin polarization.]]


==Tutorial 3==
==Tutorial 3==

Revision as of 20:16, 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.

Tutorial 3

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