[Pw_forum] Problems with phonon calculation

[lan haiping]

Hi, Zhenyu,
I think you may try to run the $espresso/example/example30, and take a look
at README.

Regards,
Hai-Ping

On Wed, Feb 11, 2009 at 9:51 AM, Andrew Lee <andrewlee.cp at gmail.com> wrote:

> I have a related question. With the current version of PWSCF, is it
> possible only to do the electric field perturbation? If possible, how to
> setup the input parameters? Thanks
> Best,
> Zhenyu
>
> University of Science and Technology of China
> Hefei, Anhui 230026, China
>
> On Wed, Feb 11, 2009 at 1:07 AM, Ary Junior <aryjunior at gmail.com> wrote:
>
>> Hello,
>>
>> I have a very large system and I must do a phonon calculation. This
>> calculation takes months, so I want to do with only few atoms. But the
>> variable nat_todo seems to not work. When I enable the variable for a little
>> system, it only makes the calculation ph.x to the atoms that I ask, but with
>> my system of interest, no matter if I insert nat_todo, nrapp or maxirr, it
>> continues making 3*n representations.
>>
>> Thanks very much!
>>
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>> Pw_forum at pwscf.org
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>>
>>
>
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>


-- 
Hai-Ping Lan
Department of Electronics ,
Peking University , Bejing, 100871
lanhaiping at gmail.com, hplan at pku.edu.cn
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