The description from the UG should be correct. I know that we changed slightly the input to be compatible with the original input files.
I ran the example myself and it seemed to work. However, it is a new option and it is always possible that some mistake, either in the integration of the source code or in the description has been made. Please try to run the Fe example and follow the instructions in the UG as close as possible. If there are still problems, I need more detailed information. Am 28.04.2011 12:12, schrieb ?? ???: > Dear Prof. Peter Blaha > > I try to X-ray MCD spectra calculation by OPTIC. > Although I read Wien2k mannual for Ver. 11, > I cannot understand how to use. > And I read the paper published condmat( arXiv:1104.1558v1) > > The input file format in Wien2k is different from that of the above paper. > > Which description content is right ? > > Please tell me. > > Sincerely, > > Masaichiro Mizumaki > > > ------------------------------------------------------------ > ?679-5198????????????1-1-1 > ???????????????? > ?????????????????? > ????? > Tel: 0791-58-0802-3870 > Fax: 0791-58-0830 > E-mail: mizumaki at spring8.or.jp > -------------------------------------------------------------- > > _______________________________________________ > 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 -----------------------------------------
