To add to this thread: there is an Europhysics Letters on the subject, J. C. Charlier, X. Gonze and J.-P. Michenaud, "Graphite interplanar bonding: electronic delocalization and van der Waals interaction", Eurphysics Letters 28 (6), 403-408 (1994)
in which the physics of the bonding of graphite layers, as described by the LDA approximation, is analyzed in detail. Have a nice weekend, Marcos Vous avez écrit / You have written / Lei ha scritto / Você escreveu... Bailey, Steven > DFT does not calculate Van Der Waals. In the case of inter layer > graphite, using LDA for example, you might suggest that the weak pi > bonding between the layers given by DFT approximates the inter wall > interaction. > > Steve > > > Dr S Bailey > L & C Branch of the IoP Treasurer > Physics Department > Lancaster University > Lancaster, UK. > LA1 4YB > Tel. +44(0)1524592844 > -- Dr. Marcos Verissimo Alves Post-Doctoral Fellow Unité de Physico-Chimie et de Physique des Matériaux (PCPM) Université Catholique de Louvain 1 Place Croix du Sud, B-1348 Louvain-la-Neuve Belgique ------ Gort, Klaatu barada nikto. Klaatu barada nikto. Klaatu barada nikto.
