Bethe-Salpeter: Difference between revisions
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*GaSb (SOC) | *GaSb (SOC) | ||
* | * hexagonal BN (on slides only) | ||
==== The material ==== | |||
* [https://en.wikipedia.org/wiki/Boron_nitride#Hexagonal_form_.28h-BN.29] | |||
* 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: | Steps: | ||
Revision as of 16:58, 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
- [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