[Pw_forum] dipole moment of thin polar films

[Ngoc Linh Nguyen]

mohnish pandey wrote:
> Dear users,
>                   I want to calculate the dipole moment of some thin 
> polar films. Does QE has any module for doing the same?  
You should read this archives that's related to turning on dipole 
correction.
 http://www.democritos.it/pipermail/pw_forum/2009-March/011935.html
Then read in 
http://www.quantum-espresso.org/input-syntax/INPUT_PW.html#id3900364
about the input of "dipfield" and others related.
> And if it does have then that dipole moment is per unit volume (volume 
> of the supercell ) or it is total dipole moment? I am really stuck in 
> this.
Can you define "total dipole moment"?, In my opinion , if you consider a 
space, you will have dipole moment only in that space.


Hope this help

Linh

>
> Thanks a lot in advance, 
>
> -- 
> Regards,
> MOHNISH,
> -----------------------------------------------------------------
> Mohnish Pandey
> Y6927262,4th Year dual degree student,
> Department of Chemical Engineering,
> IIT KANPUR, UP, INDIA
> +919235721300
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