Bethe-Salpeter kernel: Difference between revisions
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(Created page with "Create the input $ yambo -F 03_bse_Ws.in -b -o b -k sex -V QP (for a 3D) or $ yambo -F 03_bse_Ws.in -b -o b -k sex -V QP -r (for a 2D) Open it and change some of t...") |
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% KfnQP_E | % KfnQP_E | ||
1.00000 | 1.000000 | 1.000000 | # [EXTQP BSK BSS] E parameters (c/v) eV|adim|adim | 1.00000 | 1.000000 | 1.000000 | # [EXTQP BSK BSS] E parameters (c/v) eV|adim|adim | ||
Close in input file 03_bse_Ws.in and run the code | |||
$ yambo -F 03_bse_Ws.in | |||
Revision as of 11:11, 16 March 2017
Create the input
$ yambo -F 03_bse_Ws.in -b -o b -k sex -V QP (for a 3D)
or
$ yambo -F 03_bse_Ws.in -b -o b -k sex -V QP -r (for a 2D)
Open it and change some of the input variables
BSENGexx= 30 Ry # [BSK] Exchange components BSENGBlk= 2 Ry # [BSK] Screened interaction block size
In the excitonic hamiltonian the GW energies are required. If you have already generated a ndb.QP database you can read it
KfnQPdb= " E < ./SAVE/ndb.QP " # [EXTQP BSK BSS] Database
or you can give the numerical value of the GW scissor and conduction and valence streaching.
For this material appropriate velues are:
% KfnQP_E 1.00000 | 1.000000 | 1.000000 | # [EXTQP BSK BSS] E parameters (c/v) eV|adim|adim
Close in input file 03_bse_Ws.in and run the code
$ yambo -F 03_bse_Ws.in