On Thu, Jun 28, 2012 at 6:02 PM, Gulcin Tetiker <gkucukdalyan at gmail.com>wrote:
> Thanks a lot for the info. I got the idea. So does it mean that if i want > to calculate LUMO do i have to add 1 to the HOMO so that the code can print > the LUMO level? > The code normally does not compute the LUMO; you need to manually set the number of bands (nbnd) to get it. bests -- Lorenzo Paulatto IdR @ IMPMC/CNRS & Universit? Paris 6 phone: +33 (0)1 44275 084 / skype: paulatz www: http://www-int.impmc.upmc.fr/~paulatto/ mail: 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120628/e24cadf5/attachment.htm
