[Wien] Band structure using HSE06

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

Re: [Wien] Band structure using HSE06

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

Re: [Wien] Band structure using HSE06

Ok, thank you Sir. On Mon, 6 Feb 2023 at 01:01, Peter Blaha wrote: > 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, > >