Bethe-Salpeter kernel in 2D: Difference between revisions
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(Created page with "Create the input yambo -F 03_bse_Ws_wcut.in -b -r -o b -k sex -V QP 03_bse_Ws_wcut.in Open it and change some of the input variables BSENGexx= 30 Ry # [BSK] Exchange...") |
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If you have already generated a ndb.QP database you can read it | If you have already generated a ndb.QP database you can read it | ||
KfnQPdb= " E < ./SAVE/ndb.QP " # [EXTQP BSK BSS] Database | 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: | For this material appropriate velues are: | ||
% KfnQP_E | % KfnQP_E | ||
1.00000 | 1.000000 | 1.000000 | # [EXTQP BSK BSS] E parameters (c/v) eV|adim|adim | |||
% | |||
Latest revision as of 17:58, 16 June 2021
Create the input
yambo -F 03_bse_Ws_wcut.in -b -r -o b -k sex -V QP 03_bse_Ws_wcut.in
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 %