Please read the UG, the section about hybrid DFT.
You need a special procedure and commands for bandstructure with hybrid-DFT.
Am 05.02.2023 um 18:29 schrieb shamik chakrabarti:
Dear Wien2k users,
I have gotten a converged structure with
HSE06 using 1 k point. The system is simple cubic. Now I want to get
the band structure. There is a script for using case.klist_band. I can
accept it & follow the sequence as being given in w2web. My query is
do I need to use -hf switch during any of the sequence?
with regards,
--
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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