Re: [Phonopy-users] Phonopy with IBRION = 6

[Carlo M. <MO...@tc...>]

Thank you very much for your answer.
My problem is then: how can I practically use it to get, for instance, phonon DOS and animations?

For instance, if I run phonopy I just get:
> Supercell matrix (DIM or --dim) is not found.

Thanks again,


--
             
Carlo 


________________________________________
From: Atsushi Togo <atz...@gm...>
Sent: 28 February 2016 07:51
To: phonopy-users
Subject: Re: [Phonopy-users] Phonopy with IBRION = 6

Hi,

I have no idea. Have you run with IBRION=6? You can try with a small
system, and compare the result with that obtained using IBRION=8. If
they agree, generally IBRION=6 should work with phonopy.

Togo

On Fri, Feb 26, 2016 at 1:54 AM, Carlo Motta <MO...@tc...> wrote:
> Hi,
>
>
> can Phonopy be used in combination with a VASP calculation where IBRION = 6
> ?
>
>
> I guess the answer is no...
>
>
> Thank you in advance,
>
>
> Carlo Motta
>
>
>
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--
Atsushi Togo
Elements Strategy Initiative for Structural Materials, Kyoto university
E-mail: atz...@gm...

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