topic even though all my potentials in Intel® oneAPI Math Kernel Library

dxyevx calculates eigenvectors negatively

bekar__bahadır1 — Sat, 31 Aug 2019 08:19:00 GMT

I wonder if my energy is negative in quantum calculations

Please define "negative

mecej4 — Sat, 31 Aug 2019 08:26:03 GMT

Please define "negative vector".

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

even though all my potentials

bekar__bahadır1 — Sat, 31 Aug 2019 08:44:00 GMT

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

Since you have not stated

mecej4 — Sat, 31 Aug 2019 09:28:53 GMT

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.