On May 22, 2012, at 21:59 , Bahadir Altintas wrote: > infact, i am going to perform phonon calculation for this structure. > what should i do to get correct pointgroup?
use a FFT grid that is commensurate with the fractional translation. The alternative is to implement symmetrization in G-space for the phonon code. 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
