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how to obtain the matrix elements of Hamiltonian

Posted: Wed Jan 08, 2020 12:22 pm
by siyuchen
Hi there,

I was wondering if it is possible to obtain the matrix elements of Hamiltonian using VASP, i.e. the Hamiltonian that VASP diagonalises in order to get the energy levels and corresponding wavefunctions at a specific k point.

Thanks.

Re: how to obtain the matrix elements of Hamiltonian

Posted: Wed Sep 11, 2024 3:07 pm
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP