Bethe-Salpeter kernel in 2D

From The Yambo Project
Revision as of 10:36, 16 March 2017 by Maurizia (talk | contribs) (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...")
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to navigation Jump to search

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