On Mon, May 21, 2012 at 2:13 PM, Cao TF <tfcao at theory.issp.ac.cn> wrote:
> ** > occupations = 'tetrahedra' , > Dear Tengfei Cao, I could not spot any obvious problem in your file. All I can suggest is to try a normal smearing instead of tetrahedra for the nscf calculation: I'm not sure tetrahedras are suitable for 2-dimensional systems. In particular I got some funny graphics using tetrahedras to integrate the *phonon* dos of graphene. best regards -- 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/20120522/8c2d62ce/attachment.htm
