Dear Riemann, if you have not done SCF + SO calculation, then follow Tran's advice. In addition, please read 4.5.5 of the user guide. (The mailing list is not intended to replace UG.)
I assume that you can do a BS plot without SO. With SO, the main steps include: * get case.klist_band (e.g., from XCRYSDEN) * run 'x laps1' * run 'x lapwso' * go to w2web > Tasks > Bandstructure * proceed as "usual", but activate '-so' I hope this will help Oleg -- Oleg Rubel Scientist, Thunder Bay Regional Research Institute Adjunct Professor, Dept Physics, Lakehead University 290 Munro St, Thunder Bay, P7A 7T1, Ontario, Canada Phone: +1-807-7663350 Fax: +1-807-3441948 E-mail: oru...@lakeheadu.ca Homepage: http://www.tbrri.com/~orubel/ On Mon, Apr 14, 2014 at 4:41 PM, Riemann Derakhshan < riemann.derakhs...@gmail.com> wrote: > > Dear Oleg Rubel > > Many thanks for Your favour > > Since i am absolute beginner< I will be thankful for you if You give me a detailed guidance. > > I've create structure and run first time with run-scf option from W2web, but I don't know what I should do > > in the following. > > _______________________________________________ > 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 >
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