Hi, the following link will useful. https://www.mail-archive.com/search?q=Error+while+running+band+structure+SP%2BSO+case+in+parallel&l=wien%40zeus.theochem.tuwien.ac.at
On Tue, Apr 16, 2019 at 10:14 AM Gavin Abo <gs...@crimson.ua.edu> wrote: > Sorry, too busy at the moment to search in the mailing list archive > using the search box to find where it likely was previously posted at: > > https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/maillist.html > > Check w2web, the :log or .dayfile from the scf to get an idea of > commands needed: > > https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg06561.html > > The DFT+SO should be similar to the DFT+SO+U, but you need to drop the > -orb. Refer for example to: > > https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17735.html > > On 4/15/2019 10:13 PM, Karthika Menon wrote: > > Dear forum, > > > > I am new to WIEN2k . Kindly let me know the procedure (sequence of > > commands) for obtaining the band structure with SOC for spin polarised > > case. > > > > Thanks > > Karthika Menon > > Research Scholar, > > Department of Physics, > > Indian Institute of Technology Hyderabad -502285 > _______________________________________________ > 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 > -- *P.V.SREENIVASA REDDY* *Post Doctoral Research Fellow* *Department of Physics, * *Physics Building 2,* *NCKU, Tainan, Taiwan*
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