[Pw_forum] How to calculate the isotope effect

[Stefano Baroni]

peseudopotentials do not depend on the nuclear mass
the electronic structure may depend on isotopic effect through the  
crystal geometry (which depend _very slightly_ on nuclear masses  
because of zero-point vibrations) and through electron-phonon effects.
SB

On Oct 16, 2009, at 5:03 AM, loc duong ding 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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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
Trieste
http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) /  
stefanobaroni (skype)

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