how to obtain the matrix elements of Hamiltonian

Queries about input and output files, running specific calculations, etc.


Moderators: Global Moderator, Moderator

Locked
Message
Author
siyuchen
Newbie
Newbie
Posts: 1
Joined: Sun Nov 17, 2019 9:47 pm

how to obtain the matrix elements of Hamiltonian

#1 Post by siyuchen » Wed Jan 08, 2020 12:22 pm

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.

support_vasp
Global Moderator
Global Moderator
Posts: 1817
Joined: Mon Nov 18, 2019 11:00 am

Re: how to obtain the matrix elements of Hamiltonian

#2 Post by support_vasp » Wed Sep 11, 2024 3:07 pm

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


Locked