Bethe-Salpeter: Difference between revisions
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|width="50%"| [[File:bn.jpg|Band Structure]] | |width="50%"| [[File:bn.jpg|Band Structure]] | ||
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==== Calculate screening ==== | ==== Calculate screening ==== | ||
A key ingredient in the construction of the BS kernel is the screened electron-electron interaction W which | A key ingredient in the construction of the BS kernel in the screeened exchange approximation (sex) | ||
is commonly evaluated in the static approximation. | is the screened electron-electron interaction W which is commonly evaluated in the static approximation. | ||
yambo -b - | |||
Runlevel to be used is yambo -b | |||
==== Calculate the BS kernel in the SEX (Screened Exchange approximation) in the transition space ==== | |||
Runlevel to be used yambo -o b -k sex | |||
==== Solve the BSE by haydock solver ==== | |||
Runlevel to be used yambo -y h | |||
==== Solve the BSE by diagonalizing the excitonic matrix ==== | |||
Runlevel to be used yambo -y d | |||
Steps: | Steps: | ||
-Calculate screening | -Calculate screening | ||
-Calculate | -Calculate the BS Kernel | ||
-Diagonalize Matrix and calculate spectrum | -Diagonalize the BS Matrix and calculate spectrum | ||
-Visualize/Analyze excitons (with ypp) | -Visualize/Analyze excitons (with ypp) | ||
Revision as of 17:29, 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
|
Bulk hexagonal BN
|
|
Calculate screening
A key ingredient in the construction of the BS kernel in the screeened exchange approximation (sex) is the screened electron-electron interaction W which is commonly evaluated in the static approximation.
Runlevel to be used is yambo -b
Calculate the BS kernel in the SEX (Screened Exchange approximation) in the transition space
Runlevel to be used yambo -o b -k sex
Solve the BSE by haydock solver
Runlevel to be used yambo -y h
Solve the BSE by diagonalizing the excitonic matrix
Runlevel to be used yambo -y d
Steps:
-Calculate screening
-Calculate the BS Kernel
-Diagonalize the BS Matrix and calculate spectrum
-Visualize/Analyze excitons (with ypp)
-How to Converge
-How to work with SOC