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[abinit-forum] A question about the calculation of the graphite and graphene


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  • From: 文沈 <wshen02@gmail.com>
  • To: forum@abinit.org
  • Subject: [abinit-forum] A question about the calculation of the graphite and graphene
  • Date: Mon, 9 Mar 2009 10:46:06 -0700
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Dear Abinit users,
I am currently using abinit to calculate the dielectric function of graphite and graphene. But the problem is whatever pseudopotential I use, I get very bad result which I mean I get nearly all 0 for the imaginary part. I've already made sure that my structures are right.

So anybody who calculate the dielectric function for Carbon please give me some idea what is the problem.
Thanks a lot !

Yours
Wen



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