On Dec 20, 2012, at 12:25 , Martin Gmitra wrote: > It seems that Martins-Troullier method for PP > is more robust.
for phonon calculations in C, I am not sure I would use USPP or PAW, unless there is a specific reason: results with norm-conserving PP's are typically very good and I don't think USPP or PAW are any faster in this specific case. The behaviour of your phonons at small q is definitely strange. I have no idea why it occurs. 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
