Dear Wien2k developers and users, I need to know one small information: on what basis the sequences of high symmetry points of the Brillouin zones are chosen? I know that XCrysDen would help to choose any sequence we like; but, there often times in our system XCrysDen does not run! In such situations we use the Brillouinzones from Bilbao Cryst Server<http://www.cryst.ehu.es/cgi-bin/cryst/programs/nph-table?from=kv> option. This one automatically sets the sequence. I like to have more understanding about how this is done. Please let me know any refence papers or we pages which could give me more inputs to understand this.
Literature have many different schemes, but I do not know what is used in Wien2k 11.1 Thanks. -- *K. Balamurugan Pittsburgh, USA. +1 412 961 5055* -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110914/8d1b5664/attachment.htm>
