On Jul 10, 2012, at 16:44 , Torstein Fjermestad wrote: > this is the input file of the phonon calculation:
this is the input file for a SINGLE phonon calculation. You need to specify "disp=.true." and a wave-vector grid to get the phonon dispersions needed to calculate interatomic force constants 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
