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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Line 21: | Line 21: | ||
Open the input and uncomment the | Open the input and uncomment the following line | ||
# | #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 | ||
Line 28: | Line 28: | ||
Close in input and run the code | Close in input and run the code | ||
$ yambo -F 03_bse_Ws_yd.in -J 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 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
- 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