On Mon, 2012-05-14 at 03:07 +0100, Elie M wrote: > (1) Are all the modes vibrational?
there are always three translational modes > (2) Are any modes missing from the calculation there shouldn't be anything missing > (3) i did the calculation and got two of the modes negative if they go to zero when you apply the acoustic sum rule, with all other modes unchanged or litle affected, it is not a problem P. -- Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
