QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: kaypu on December 14, 2012, 10:14
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Dear QuantumWise staff:
i want to study the transport properties fo Li absorption in a few layer graphene, and Van der Waals interaction is important in multilayer graphene, it will change interlayer spacing of the multilayer graphene. using DFT-D, i can opt the system, for transport of DFT-NEGF, can ATK suit for the job? or modify the EXC, maybe +empirical potential.
Regards
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I have the same question here:
Does the current version include the van der waals interaction? Thanks.
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Yes, it is not implemented.