[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.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20170222/c6e8ee08/attachment.htm>


More information about the DFTB-Plus-User mailing list