Re: [Phonopy-users] frequency

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

Hi,

Frequencies are written in mesh.yaml.

Even if some information is written, if the user can not find it, it
means nothing. Currently, the document is written only by me. It is
extremely difficult to improve it without other's advice. This project
of a harmonic phonon code, which is scientifically nothing new, is a
kind of my hobby (nobody pays money for it), and I have not strong
motivation (or say no strong pressure from outside) to continue it. So
user's or developer's contribution really encourages me :)

Togo

On Thu, Jul 22, 2010 at 9:52 PM, Ujjal Das <uj...@mi...> wrote:
>
> Thank you for the reply.
>
> Yes, it is related to phonopy operation.
>
> I have all the required files (INPHON, FORCES, POSCAR, DISP). I can
> compute the
> thermal properties using "phonopy -t" command. But I don't know how to extract
> phonon frequencies. What command should I use or how the INPHON file should
> look like.
>
> If you mean that it is already in the manual, I should look at it more
> carefully.
>
> Ujjal
>
>
>
> Quoting Atz Togo <atz...@gm...>:
>
>> Hi,
>>
>> I don't understand your question. Physics question, computational
>> question, or just a question of operation of phonopy? If it is the
>> last one, it means that the manual is written so badly, and I need
>> your advise to improve it!
>>
>> Cheers!
>>
>> Togo
>>
>> On Thu, Jul 22, 2010 at 1:05 PM, Ujjal Das <uj...@mi...> wrote:
>>>
>>> Dear phonopy-users,
>>>
>>> How to extract frequencies once the forces (of the supercells) are
>>> calculated
>>> using VASP? What should be the command options?
>>>
>>> Thank you,
>>>
>>> Ujjal
>>>
>>>
>>> --
>>> Ujjal Das, Ph.D.
>>> Chemical Engineering, MIT
>>> 66-264, Phone: 812-322-7402
>>>
>>>
>>>
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>>
>>
>>
>> --
>> Atsushi Togo
>> http://atztogo.users.sourceforge.net/
>> atz...@gm...
>>
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>
>
>
> --
> Ujjal Das, Ph.D.
> Chemical Engineering, MIT
> 66-264, Phone: 812-322-7402
>
>
>
>
>
>
> ------------------------------------------------------------------------------
> This SF.net email is sponsored by Sprint
> What will you do first with EVO, the first 4G phone?
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> _______________________________________________
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-- 
Atsushi Togo
http://atztogo.users.sourceforge.net/
atz...@gm...