Symmetrized and not symmetrized hessian
Posted: 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?
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?