Dear wien2k users, I am calculating optical properties of graphite and it seems that for small number of kpoints up to 1000 results are resealable. but for higher number of kpoints plasma frequency decreases and the intraband contribution vanishes out. I used tetra smearing with 101.00 , seems to me that graphite is conductor. Any hint appreciated.
Sincerely Mohammad -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100616/11a53078/attachment.htm>