[Wien] Problem in Bandstructure plot

[Tran, Fabien]

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-bounces at zeus.theochem.tuwien.ac.at> on behalf of Peeyush kumar kamlesh <peeyush.physik.rku at gmail.com>
Sent: Saturday, November 23, 2019 6:16 AM
To: wien-request at zeus.theochem.tuwien.ac.at; wien at 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
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