[gpaw-users] Surface loss function for the slab geometry

[Kirsten Winther]

Hi Debasis,

The q resolved EELS of a slab of 2D material is possible. Just remember to chose a q parallel to the slab (in the x,y plane) and truncate the Coulomb potential in the z-direction, setting ’truncation=2D'

Best regards,

Kirsten Winther
SUNCAT Center for Interface Science and Catalysis
SLAC National Accelerator Laboratory



On Jun 30, 2020, at 5:18 AM, Jens Jørgen Mortensen <jjmo at dtu.dk<mailto:jjmo at dtu.dk>> wrote:

Hej Kirsten,

Der er kommet det her spørgsmål på gpaw-users listen.  Jeg kan ikke helt huske om det her er noget du har forstand på.  Hvis du keder dig og ved noget om det er du velkommen til at svare.  Du er også meget velkommen til ikke at svare.

Jens Jørgen

-------- Forwarded Message --------
Subject: [gpaw-users] Surface loss function for the slab geometry
Date: Fri, 12 Jun 2020 11:06:38 +0530
From: debasis dutta via gpaw-users <gpaw-users at listserv.fysik.dtu.dk<mailto:gpaw-users at listserv.fysik.dtu.dk>>
Reply-To: debasis dutta <ddebasis919 at gmail.com<mailto:ddebasis919 at gmail.com>>
To: gpaw-users at listserv.fysik.dtu.dk<mailto:gpaw-users at listserv.fysik.dtu.dk>



Dear all,
Can  we calculate the q resolved surface loss function for a slab system (finite along one direction and periodic along the other two directions) by using gpaw.response.df  module code? If not, then is there any other way to get it?  Many thanks for giving reply.

Debasis Dutta.
Research Scholar
Department of Physics
Indian Institute of Technology - Kanpur (IIT K)
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