Thanks a lot Sir P.Blaha i understand it but sir please guide me about that some systems gives 0.000 plasma frequency. what means by 0.000 plasma frequency?????????? How can i solve this problem???????
i am very thankful to you. Thanks and Regards Arqum Hashmi ________________________________ From: Peter Blaha <pblaha at theochem.tuwien.ac.at> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> Sent: Wednesday, June 20, 2012 10:19 PM Subject: Re: [Wien] plz help required 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 ----------------------------------------- _______________________________________________ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120620/6476900b/attachment.htm>