[Pw_forum] strange results for phonon frequencies.

[Paolo Giannozzi]

On Sep 2, 2012, at 6:09 , Elie M wrote:
> What is the reason for those LARGE negative values at the beginning  
> and the LARGE ones at the end?
>
it is impossible to answer without the data and without trying to
reproduce them. Not that it irs possible even with the data:
reproducing a large phonon calculation requires effort and
computer time. It looks like the wrong file were read from
the phonon code, though. Try to make two phonon calculations
with the same cutoffs, pseudopotentials, everything, for a simpler
system (e.g. diamond).

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222