[gpaw-users] calculating dielectric function of graphene considering intraband transitions

[Falco Hüser]

Dear Mostafa,

for 2D materials, you should use the Coulomb truncation. Otherwise, the 
dielectric function is not properly defined.
See this paper for a detailed discussion (section III):

http://journals.aps.org/prb/abstract/10.1103/PhysRevB.88.245309

Regards,
Falco

On 03/28/2015 06:01 PM, mostafa abasifard wrote:
> 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
>
>
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