Dear Quantum ESPRESSO users and Developers, I am using Quantum ESPRESSO 7.5. I optimized my structure using PBE and then successfully performed SCF and NSCF calculations with the HSE06 hybrid functional. The calculated band gap is close to the expected value. My problem is the band structure calculation. For PBE, I can calculate the band structure along a standard high-symmetry k-point path without any difficulty. However, the same workflow does not work with HSE06 because the high-symmetry k-points are not compatible with the SCF k-point grid (or similar hybrid-functional-related errors are reported). I searched the mailing-list archive and found several discussions on this topic, but I am still not sure what is currently the recommended procedure in Quantum ESPRESSO 7.5. Could you please clarify the following? What is the recommended workflow for calculating an HSE06 band structure in Quantum ESPRESSO 7.5? Has the recommended procedure changed since the discussions in the mailing list from previous years? Thank you very much for your help. Best regards, Manijeh Tozihi
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