[gpaw-users] Intraband transitions

[Kristian Sommer Thygesen]

Dear Arto

The intraband transitions are not included in the DF if you use the optical limit (q=0). If you perform the calc at a finite q all transitions are included.

Best regards
Kristian
________________________________________
From: gpaw-users-bounces at listserv.fysik.dtu.dk [gpaw-users-bounces at listserv.fysik.dtu.dk] on behalf of Arto Sakko [arto.sakko at aalto.fi]
Sent: Wednesday, March 27, 2013 2:08 PM
To: gpaw-users at listserv.fysik.dtu.dk
Subject: [gpaw-users] Intraband transitions

Dear All,

  I would like to calculate the optical properties of metallic systems
with the DF module, but I have a problem with the intraband transitions:
although they are included in principle, they do not seem to influence
the photoabsorption spectrum. Intraband transitions should yield the
Drude-type behaviour at low energies below the onset of interband
transitions, but this effect seems to be missing. Can one use DF to
simulate the dielectric response function of metals in a reliable way?

With best regards,
  Arto Sakko
_______________________________________________
gpaw-users mailing list
gpaw-users at listserv.fysik.dtu.dk
https://listserv.fysik.dtu.dk/mailman/listinfo/gpaw-users