[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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