On Oct 11, 2011, at 7:45 , Pankaj Pankaj wrote: > I am struggling to calculate the phonon spectrum of crystall > symmetry with Pnma having point group symmetry mmm (D2h) > in quantum espresso, which usually disregard this symmetry point
what do you mean by "disregard"? 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
