Symmetrized and not symmetrized hessian
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Symmetrized and not symmetrized hessian
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?
Last edited by abalone on Mon Dec 16, 2013 1:56 pm, edited 1 time in total.
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Re: Symmetrized and not symmetrized hessian
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