Bethe-Salpeter: Difference between revisions
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==== The material ==== | ==== The material ==== | ||
* [https://en.wikipedia.org/wiki/Boron_nitride#Hexagonal_form_.28h-BN.29] | * Hexagonal Boron Nitride [https://en.wikipedia.org/wiki/Boron_nitride#Hexagonal_form_.28h-BN.29] | ||
* Cell : | * Cell : | ||
* Plane waves cutoff 40 Ry | * Plane waves cutoff 40 Ry | ||
==== Calculate screening ==== | ==== Calculate screening ==== | ||
Revision as of 17:01, 12 March 2017
Header
In this tutorial
subheader
BSE Tutorials at present:
- SiH_4
- Fantastic dimension
- LiF
- you Hydrogen
- GaSb (SOC)
- hexagonal BN (on slides only)
The material
- Hexagonal Boron Nitride [1]
- Cell :
- Plane waves cutoff 40 Ry
Calculate screening
A key ingredient in the construction of the BS kernel is the screened electron-electron interaction W which is commonly evaluated in the static approximation. yambo -b -F 05_W.in
Steps:
-Calculate screening
-Calculate matrix elements
-Diagonalize Matrix and calculate spectrum
-Visualize/Analyze excitons (with ypp)
-How to Converge
-How to work with SOC