Symmetrized and not symmetrized hessian

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


Moderators: Global Moderator, Moderator

Locked
Message
Author
abalone
Newbie
Newbie
Posts: 15
Joined: Tue Jan 08, 2008 7:58 pm

Symmetrized and not symmetrized hessian

#1 Post by abalone » Mon Dec 16, 2013 1:56 pm

Dear All,

What is a not-symmetrized hessian matrix?
Based on my understanding, hessian matrix should always be symmetric, right?

Is it due to the inaccuracy of calculation? If yes, how can I get accurate force constants?
Last edited by abalone on Mon Dec 16, 2013 1:56 pm, edited 1 time in total.

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

Re: Symmetrized and not symmetrized hessian

#2 Post by support_vasp » Thu Sep 12, 2024 8:31 am

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