Re: [Phonopy-users] Phonon calculations and Temperature

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

Hi,

I don't think it is possible by phonopy.

Togo

On Tue, Oct 17, 2017 at 2:55 AM, Muhammad Sajjad <saj...@gm...> wrote:
> Dear All,
>
> Can we perform phonon calculation for a system which is stable at some
> temperature (say 400 C) using PHONOPY?  As simple calculations will bring
> negative frequency (I checked for CuI).
>
> Kind Regards,
> Sajjad
>
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-- 
Atsushi Togo
Elements Strategy Initiative for Structural Materials, Kyoto university
E-mail: atz...@gm...