Dear all,

I am now diagonalizing a 200-by-200 symmetric matrix. But the two methods, scipy.linalg.eigh and numpy.linalg.eigh give significantly different result. The results from two methods are different within 10^-4 order. One of them is inaccurate or both two of them are inaccurate within that range. Which one is more accurate? or Are there any ways to control the accuracy for diagonalization? If you have some idea please let me know.

Sunghwan Choi

Ph. D. candidator

Department of Chemistry

KAIST (South Korea)