Only metals have intraband contributions. Am 21.06.2012 03:01, schrieb arqum hashmi: > Dear Wien2k users, > i am using latest version of wien2k. i want to find out the optical > properties. i tested one calculation for Al. i got plasma frequency and then > i find out the inter and > intraband contribution. it worked very well and i got all optical properties. > But when i tried to find out the optical properties of Boron Nitride and > Graphene, for both > systems its gives 0.000 plasma frequency and for both systems it gives error > when i include intraband contribution. > > Please guide me, that wien2k optical properties is not fully developed for > all type of materials?????? i will be very thankful to you. > > Thanks and Regards > Arqum Hashmi > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
-- ----------------------------------------- Peter Blaha Inst. Materials Chemistry, TU Vienna Getreidemarkt 9, A-1060 Vienna, Austria Tel: +43-1-5880115671 Fax: +43-1-5880115698 email: pblaha at theochem.tuwien.ac.at -----------------------------------------
