Re: [Phonopy-users] FORCES_FC3

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

No, no. I have found this is not explicitly written in the document,
so your question was useful. It should be written in
http://atztogo.github.io/phono3py/output-files.html . I will update
someday.

Togo

On Thu, Jan 28, 2016 at 4:30 PM, Reto Rhyner <rh...@ii...> wrote:
> Hi,
>
> thank you very much and sorry for asking something that would have been
> apparent.
>
> Best regards
>
> On 01/27/2016 12:41 AM, Atsushi Togo wrote:
>> Hi,
>>
>> It's fc3.hdf5.
>>
>> Togo
>>
>> On Wed, Jan 27, 2016 at 1:23 AM, Reto Rhyner <rh...@ii...> wrote:
>>> Hi,
>>>
>>> is there an option to get the full third derivatives of the potential of
>>> the simulated structure out of the FORCES_FC3 file? Similar to the
>>> option FORCE_CONSTANTS = WRITE for the harmonic potential.
>>>
>>> Thank you very much in advance,
>>>
>>> kind regards,
>>> Reto
>>>
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>>
>
>
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-- 
Atsushi Togo
Elements Strategy Initiative for Structural Materials, Kyoto university
E-mail: atz...@gm...