On Oct 6, 2012, at 9:18 , Kondaiah Samudrala wrote: > We successfully completed the gamma point frequencies of > orthorhombic structure using pw.x, ph.x and dynamat.x. Now we want > to analyze vibrational property of each mode like bending, > stretching or wagging etc.. How can we get these properties using > PWscf or Xcryden.
http://www.fisica.uniud.it/~giannozz/QE-Tutorial/tutorial_phon.html at the end of the "Phonon at Gamma point" section 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
