[gpaw-users] calculating dielectric function of graphene considering intraband transitions
mostafa abasifard
m.abasifard at gmail.com
Sat Mar 28 18:01:38 CET 2015
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 (my script is
attached).
Should I use the stable version of GPAW?
Any advice would be appreciated.
Thank you
Mostafa Abasifard
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://listserv.fysik.dtu.dk/pipermail/gpaw-users/attachments/20150328/50b2cdc3/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: graphene.py
Type: text/x-python
Size: 2380 bytes
Desc: not available
URL: <http://listserv.fysik.dtu.dk/pipermail/gpaw-users/attachments/20150328/50b2cdc3/attachment.py>
More information about the gpaw-users
mailing list