On Feb 11, 2012, at 19:21 , Sonu Kumar wrote: > It seems to me that ASR is applied to eigen vectors
no, it is applied to force constants > However this difference could affect properties depending upon > eigen vectors or eigen displacements. Am i right ? usually, no: the ASR changes only marginally the eigenvectors and the eigendisplacements. The main consequence of ASR is that zero-frequency acoustic modes have zero frequency. 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
