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Re: [abinit-forum] Amorphous SiO2


Chronological Thread 
  • From: Chol-Jun Yu <yucj@ghi.rwth-aachen.de>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Amorphous SiO2
  • Date: Fri, 27 Apr 2007 14:11:36 +0200
  • Organization: CME, RWTH Aachen

Hello,

you can cited the following reference: Phys. Rev. Lett. 97, 066101(2006).

Cheers.

On Friday, 27. April 2007 13:01, fet@iisb.fraunhofer.de wrote:
> Hello Abinites,
>
> Has anybody tried to model amorphous materials and defects with a supercell
> before. I tried for a 10 layer supercell of Silicon dioxide ... it just
> does not seem to converge.
>
> Any help??


Yu Chol Jun
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Computational Materials Engineering(CME)
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