Re: [Phonopy-users] equilibrium structure

[Atsushi T. <atz...@gm...>]

Hi,

I think there is no rule. In my case, I check if the three acoustic
modes converge well enough for the eye to be close to zero at Gamma
point.

Togo

On Fri, Nov 16, 2012 at 10:50 AM, Yundi Quan <tur...@gm...> wrote:
> Sir/Madam,
> I'm using WIEN2k together with Phonopy to do phono calculations. The first
> step of phonon calculation would be to find the optimized structure file.
> How small should the net force on an atom be? Is 0.1mRy/Bohr small enough?
>
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-- 
Atsushi Togo
http://atztogo.users.sourceforge.net/
atz...@gm...