The other possibility is that the k-mesh that you used during the SCF calculation is not dense enough
to catch the valence band maximum (VBM), which means that :FER in case.scf is below the real value of the VBM. This may be particularly the case if the VBM is not at a high-symmetry k-point and/or you used a shifted k-mesh. Then, for band plotting you caught the VBM such that Ef=0 is below the VBM on the plot. Do you have the same problem with GGA calculation? ________________________________ From: Wien <wien-boun...@zeus.theochem.tuwien.ac.at> on behalf of Peeyush kumar kamlesh <peeyush.physik....@gmail.com> Sent: Monday, November 25, 2019 8:25 AM To: wien-requ...@zeus.theochem.tuwien.ac.at; wien@zeus.theochem.tuwien.ac.at Subject: Re: [Wien] Problem in Bandstructure plot I am Sorry, I used "-hf" there. But I forgot to write it here. Also I put correct :FER value in case.insp On Sat, Nov 23, 2019 at 10:41 PM Peeyush kumar kamlesh <peeyush.physik....@gmail.com<mailto:peeyush.physik....@gmail.com>> wrote: Dear Tran, Fabien, My system is semiconducting system having band gap 2 eV. Thanks and regards Peeyush Kumar Kamlesh On Sat, Nov 23, 2019 at 10:46 AM Peeyush kumar kamlesh <peeyush.physik....@gmail.com<mailto:peeyush.physik....@gmail.com>> wrote: 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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