Looking for zero frequencies

An Ghysels an.gh... at gmail.com
Fri Apr 9 15:46:06 UTC 2010

Hi Teo,

I checked the numerical differentiation step by doing a force field
calculation for the diamond structure, where any QM related noise is
absent. The step size was 0.01 and I got zeros of the order of 0.1
cm-1. Therefore I concluded it is not the step size which is causing
the absence of nice zeros.


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