Bethe-Salpeter kernel in 2D: Difference between revisions

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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
%

Revision as of 17:57, 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
%