Why DFT-D2 underestimates interlayer distance of bilayer graphene?

Swastibrata Bhattacharyya @Swastibrata-Bhattacharyya

15 October 2015 1 8K Report

What is the best method to get equilibrium interlayer distance of graphite?

Babu Bhaskaran

Refer this link:http://arxiv.org/pdf/1203.6820.pdf

Refer this link:http://perssongroup.lbl.gov/papers/nanolett2012-liabsorption.pdf

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