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working on graphene sheet using VASP

Posted: Thu Jul 15, 2010 8:49 am
by Isha
Hi all..............
I want to work on graphene sheet using VASP, like calculating electronic properties. But somebody told me that it is computationally expensive.is it really so? what should i do?

working on graphene sheet using VASP

Posted: Thu Jul 15, 2010 9:19 am
by forsdan
The computational demands depend on what you want to do with the graphene sheet (defects, adsorption, use of hybrid functionals, etc..), and are always relative to what kind of resources you have access to. Just a clean perfect graphene sheet with LDA/GGA is not computationally expensive.

Cheers,
/Dan


<span class='smallblacktext'>[ Edited Thu Jul 15 2010, 11:24AM ]</span>