how to obtain the matrix elements of Hamiltonian
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how to obtain the matrix elements of Hamiltonian
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.
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.
-
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: how to obtain the matrix elements of Hamiltonian
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