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

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

I'm afraid that the phonopy document is so bad.

Togo

On Mon, Feb 29, 2016 at 8:12 PM, Carlo Motta <MO...@tc...> wrote:
> 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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-- 
Atsushi Togo
Elements Strategy Initiative for Structural Materials, Kyoto university
E-mail: atz...@gm...