[CP2K:2660] Re: Looking for zero frequencies

carlo antonio pignedoli c.pig... at gmail.com
Sat Apr 10 20:45:22 CEST 2010


Dear An, thanks a lot for the paper, I will have a look carefully.
I was referring to my personal experience where I never got clean
eigenvalues (also for the translational modes if I remember well I
never got ~0) for systems not perfectly optimized.

Ciao

Carlo



On Fri, Apr 9, 2010 at 6:08 PM, An Ghysels <an.gh... at gmail.com> wrote:
>
> Dear Carlo,
>
> That's a common misunderstanding. But one can proof analytically that
> the Hessian of a translational invariant system has 3 zero
> eigenvalues, optimized or not. See eg Ghysels et al. JCP 127, 164108
> (2007)
>
> An
>
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