On Apr 17, 2012, at 24:01 , Bo Qiu wrote: > However, I found the dynamical matrices do not agree. > The eigenvectors are also completely different.
all I can say is that properly computed dynamical matrices produced by QE are correct and should compare well with properly computed dynamical matrices produced by other packages 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
