Complex band structure
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golam_morshed
- Newbie
- Posts: 3
- Joined: Fri Mar 27, 2020 6:42 pm
Complex band structure
Does anybody know how to perform complex band structure calculations within VASP?
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martin.schlipf
- Global Moderator
- Posts: 542
- Joined: Fri Nov 08, 2019 7:18 am
Re: Complex band structure
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.
Martin Schlipf
VASP developer