<div dir="ltr">Dear Riemann,<br><br>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.)<br><br>I assume that you can do a BS plot without SO. With SO, the main steps include:<br>
* get case.klist_band (e.g., from XCRYSDEN)<br>* run 'x laps1'<br>* run 'x lapwso'<br>* go to w2web > Tasks > Bandstructure<div>* proceed as "usual", but activate '-so'<br><div><br>
</div><div>I hope this will help</div><div>Oleg<br><br>--<br>Oleg Rubel<br>Scientist, Thunder Bay Regional Research Institute<br>Adjunct Professor, Dept Physics, Lakehead University<br>290 Munro St, Thunder Bay, P7A 7T1, Ontario, Canada<br>
Phone: +1-807-7663350<br>Fax: +1-807-3441948<br>E-mail: <a href="mailto:orubel@lakeheadu.ca">orubel@lakeheadu.ca</a><br>Homepage: <a href="http://www.tbrri.com/~orubel/">http://www.tbrri.com/~orubel/</a><br><br><br>On Mon, Apr 14, 2014 at 4:41 PM, Riemann Derakhshan <<a href="mailto:riemann.derakhshan@gmail.com">riemann.derakhshan@gmail.com</a>> wrote:<br>
><br>> Dear Oleg Rubel<br>><br>> Many thanks for Your favour<br>><br>> Since i am absolute beginner< I will be thankful for you if You give me a detailed guidance.<br>><br>> I've create structure and run first time with run-scf option from W2web, but I don't know what I should do<br>
><br>> in the following.<br>><br>> _______________________________________________<br>> Wien mailing list<br>> <a href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br>> <a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>
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