Hi,
First question: Is it supposed to be a non-metallic system? What is the value of :GAP in case.scf? FT ________________________________ From: Wien <wien-boun...@zeus.theochem.tuwien.ac.at> on behalf of Peeyush kumar kamlesh <peeyush.physik....@gmail.com> Sent: Saturday, November 23, 2019 6:16 AM To: wien-requ...@zeus.theochem.tuwien.ac.at; wien@zeus.theochem.tuwien.ac.at Subject: [Wien] Problem in Bandstructure plot Dear Users, Greetings! Generally when we plot bandstructure in WIEN2k, it shows fermi level (Ef = 0) just above the valance band. But when i am plotting it for my compound then fermi level is crossing the valance band. Can you please explain the problem and suggest a solution? Regards Peeyush Kumar Kamlesh
_______________________________________________ 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
