[Pw_forum] Problems with phonon calculation

[lan haiping]

Sorry, I just mis-typed.  example31 should be  the script for
finite-electric field scheme implemented in PWSCF.
regards,

On Wed, Feb 11, 2009 at 7:49 PM, lan haiping <lanhaiping at gmail.com> wrote:

> 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
>



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