Quoting HaoPan <adehaopan at hotmail.com>: > On each q point I got, the phone frequencies are positive. But after > the Fourier interpolation process, There exist negative frequencies.
hard to say what is happening. When you re-generate phonon from the force constant matrix, you should find exactly the same phonon frequencies for the wave-vector grid used to generate force constants in real space. If not, something has gone wrong in the generation of interatomic force constants Paolo ---------------------------------------------------------------- This message was sent using IMP, the Internet Messaging Program.
