• Pavel Kus's avatar
    extending check_correctness · dbef90e4
    Pavel Kus authored
    Previously we checked ortonormality of eigenvectors by comparing
    the matrix S^T * S to identity matrix. The new feature is also
    checking just the diagonal of the matrix S^T * S. By that we get
    the information, how far are the eigenvectors from having length 1.
    If it turns out to be important, we could try to normalize them
    at the end of elpa, which is simple (in contrast with enforcing
    better orthogonality).