On May 12, 2011, at 17:43 , mayank gupta wrote: > The phonon frequency for cubic crystal should have degenerate > along [1 0 0] for TA modes, But i got different frequency. I have > calculate the same with larger value of ecut_rho as well as with > higher FFT mesh and still they are non degenerate.
symmetry doesn't change with the cutoff. You may want to try a tighter convergence criterion (tr2_ph) 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
