[DFTB-Plus-User] bilayer graphene SK parameters

Hyun-Jung Kim Infant at kias.re.kr
Wed Feb 22 09:59:03 CET 2017


Dear all,

I’m wondering where the C-C.skf parameter for the graphene test case, 
provided in the “dftp+tutoral-carbon2d”  of the DFTP+ homepage,
is also suited for the bilayer graphene system.

Is it possible to reproduce the interlayer interaction (I mean, including the vdW interactions) properly? 

Thank you,
Sincerely,
Hyun-Jung.

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