Bethe-Salpeter diagonalization: Difference between revisions

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(Created page with "'Prerequisites'' Run Initialization Run Static screening Run GW in PPA Run Bethe-Salpeter Kernel ''Create the input'' for h-BN bulk $ yambo -F 03...")
 
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Open the input and uncomment the variable
Open the input and uncomment the following line
#Wf..
#WRbsWF                      # [BSS] Write to disk excitonic the FWs
This will allow to write the exctionic eigenvector and eigenvalues to be use in post-processing runs
This will allow to write the exctionic eigenvector and eigenvalues to be use in post-processing runs


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Close in input and run the code
Close in input and run the code


  $ yambo -F 03_bse_Ws_yd.in  -J 3D ( for 3D)
For hBN bulk
  $ yambo -F 03_bse_Ws_yd.in  -J 3D  


or  
or  
  $ yambo -F 03_bse_Ws_2D_yd.in -J 2D (for 2D)
 
For hBN-2D
  $ yambo -F 03_bse_Ws_2D_yd.in -J 2D

Latest revision as of 17:46, 19 March 2017

'Prerequisites

Run Initialization
Run Static screening

Run GW in PPA
Run Bethe-Salpeter Kernel


Create the input

for h-BN bulk

$ yambo -F 03_bse_Ws_yd.in -b -o b -k sex -V qp -y d

or for h-BN 2D

$ yambo -F 03_bse_Ws_2D_yd.in -b -o b -k sex -V qp -r  -y d 


Open the input and uncomment the following line

  1. WRbsWF # [BSS] Write to disk excitonic the FWs

This will allow to write the exctionic eigenvector and eigenvalues to be use in post-processing runs


Close in input and run the code

For hBN bulk

$ yambo -F 03_bse_Ws_yd.in  -J 3D 

or

For hBN-2D

$ yambo -F 03_bse_Ws_2D_yd.in -J 2D