Dear Prof. Blaha, Thank you for your advice Sir. Its running fine now.
with regards, On Thu, 19 May 2022 at 21:55, Peter Blaha <pbl...@theochem.tuwien.ac.at> wrote: > If you do it spin-polarized, create a proper case.inst file with > non-magnetic Li, Sb and O, and only Co should be magnetic. > > instgen -ask > init -sp -b ... > > Am 19.05.2022 um 10:56 schrieb shamik chakrabarti: > > Dear Wien2k users, > > > > I am trying to simulate the material as attached to > > the email. I encountered Ghost Band error at the 2nd cycle. I have tried > > to modify the case.in1 with the information obtained from case.scf2 up, > > however without success. Please respond with the remedy. > > > > with regards, > > > > -- > > Dr. Shamik Chakrabarti > > Research Fellow > > Department of Physics > > Indian Institute of Technology Patna > > Bihta-801103 > > Patna > > Bihar, India > > > > _______________________________________________ > > 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 > > -- > -------------------------------------------------------------------------- > Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna > Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 > Email: bl...@theochem.tuwien.ac.at WIEN2k: http://www.wien2k.at > WWW: http://www.imc.tuwien.ac.at > ------------------------------------------------------------------------- > _______________________________________________ > 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 > -- Dr. Shamik Chakrabarti Research Fellow Department of Physics Indian Institute of Technology Patna Bihta-801103 Patna Bihar, India
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