[Pw_forum] Fourier interpolation

giannozz at democritos.it giannozz at democritos.it
Thu Jul 29 17:15:02 CEST 2010


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

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