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Complex band structure

Posted: Mon Oct 16, 2023 6:23 pm
by golam_morshed
Does anybody know how to perform complex band structure calculations within VASP?

Re: Complex band structure

Posted: Fri Oct 20, 2023 6:22 am
by martin.schlipf
Complex band structures are not supported directly by VASP at the moment. I am not aware of another package that provides the functionality. Perhaps one could export the VASP Hamiltonian in a basis and then use that write an own code but I do not know enough about complex band structures to judge whether that approach would be feasible.