NLESC-JCER / Fortran_Davidson

Davidson eigensolver implemented in Fortran
Apache License 2.0
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Search for a better cost function #13

Open felipeZ opened 5 years ago

felipeZ commented 5 years ago

Currently we are checking that the algorithm converges using the following formula

norm(H * computed_eigenvectors - computed_eigenvalues) < tolerance 

This condition is quite stringent for convergence and expensive, specially for the matrix-free version