why don't you just copy the xcrysden.klist to your actual case after you produced it once
(in similar way you may replace the existing predefined cases) Ciao Gerhard DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy: "I think the problem, to be quite honest with you, is that you have never actually known what the question is." ==================================== Dr. Gerhard H. Fecher Institut of Inorganic and Analytical Chemistry Johannes Gutenberg - University 55099 Mainz and Max Planck Institute for Chemical Physics of Solids 01187 Dresden ________________________________________ Von: wien-boun...@zeus.theochem.tuwien.ac.at [wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von Yundi Quan [quanyu...@gmail.com] Gesendet: Freitag, 27. November 2015 07:19 An: A Mailing list for WIEN2k users Betreff: [Wien] selecting k-path from command line Is there an existing code for selecting k-path using command line? I have about 30 cases of scf results and selecting k-path one by one using xcrysden is not a good use of time. Thanks. _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
