Calculating Hirschfeld-I charges in solids: implementation, pitfalls and applications

D.E.P. Vanpoucke, S. Cottenier, V. Van Speybroeck, S. Van Damme, P. Bultinck, I. Van Driessche

ISBN/ISSN:

Poster

Conference / event / venue

15th International Conference on Density Functional Theory and its Applications

Durham, UK

Monday, 9 September, 2013 to Friday, 13 September, 2013