Sophie

Sophie

distrib > Fedora > 18 > i386 > by-pkgid > 9fa01ead33f6cb147c452ccad90c9326 > files > 187

wannier90-2.0.0-1.fc18.i686.rpm

Implementation of a method for calculating van der Waals 
energies based on the idea of density decomposition. 

For theoretical details, please see the following publication
and references therein:

Lampros Andrinopoulos, Nicholas D. M. Hine and Arash A. Mostofi, 
Calculating dispersion interactions using maximally localized
Wannier functions, J. Chem. Phys. 135, 154105 (2011).

For further details of this program, please see the documentation
in /doc and the related examples in /examples.

(c) 2012, L Andrinopoulos, NDM Hine, AA Mostofi