On Feb 10, 2012, at 24:32 , Suza W wrote: > For example, after the above algebra, we get, these well- > arranged eigen displacements > [...] > ,whereas the initial eigen-vectors that QE code prints directly > (which is indeed messy)
if you have degenerate eigenvalues, any linear combination of eigenvectors in the degenerate subspace is a solution. What you get from numerical diagonalization depends upon the phase of the moon. P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
