[Pw_forum] How to calculate the isotope effect

[lan haiping]

Hi,
The isotope effect only has impact on PHONON calculation. In this situation
, you need to specify  different atomic mass for the different isotopes.
Please have a look at INPUT_PH.

Hopt it helps

Regards,

Hai-Ping

On Fri, Oct 16, 2009 at 11:03 AM, loc duong ding <mambom1902 at yahoo.com>wrote:

> Dear PWSCF users,
>
> I am trying to consider effect of isotope. How can I get the PP of isotope
> (ex. O(16) and O(17))?
>
> Best, -----------------------------------------------
> Loc Duong Dinh
> Ms-Ph.D Student
> Sungkyunkwan Advanced Institute of Nanotechnology,
> Sungkyunkwan University,
> Suwon, 440-746, Korea
> Email: mambom1902 at yahoo.com, ddloc at skku.edu
>
>
>
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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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