Intel® oneAPI Math Kernel Library
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dxyevx calculates eigenvectors negatively

bekar__bahadır1
Beginner
158 Views

I wonder if my energy is negative in quantum calculations

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3 Replies
mecej4
Black Belt
158 Views

Please define "negative vector".

If v is an eigenvector of matrix A, so is -v.

bekar__bahadır1
Beginner
158 Views

even though all my potentials are positive, the result is negative

mecej4
Black Belt
158 Views

Since you have not stated your problems in terms that relate to the Lapack routine DXYEVX, and few of us are quantum physicists/chemists, we cannot comment.

What "potential"? What "results"? What does the occurrence of "negative energy" mean? If you show the matrix in question, and state what results you get and what you expected in the results, perhaps some progress can be made.

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