[gpaw-users] calculating dielectric function considering intraband transition
Morten Niklas Gjerding
mogje at fysik.dtu.dk
Mon Mar 23 09:09:30 CET 2015
Hi Mostafa.
Can you provide us with your script? That will make it a lot easier to figure out what's wrong.
KR. Morten
________________________________
From: gpaw-users-bounces at listserv.fysik.dtu.dk [gpaw-users-bounces at listserv.fysik.dtu.dk] on behalf of mostafa abasifard [m.abasifard at gmail.com]
Sent: Saturday, March 21, 2015 8:10 AM
To: gpaw-users at listserv.fysik.dtu.dk
Subject: [gpaw-users] calculating dielectric function considering intraband transition
Hello
I'm trying to calculate the dielectric function of graphene, considering intraband transitions which are a result of applying a gate voltage. I use the latest development release of GPAW, but I can't get results in good agreement with literature.
I tried to disable the intraband transitions in the calculation but I strangely found that it has no effect on the calculations.
Should I use the stable version of GPAW?
Any advice would be appreciated.
Thank you
Mostafa Abasifard
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