[Pw_forum] Partial Charge on atoms

[Giuseppe Mattioli]

Dear User
Please sign always your posts to this forum with name and scientific  
affiliation.
Not sure, anyway, that you can assign partial charges to atoms in QE  
as you can do in empirical molecular dynamics codes.
HTH

Giuseppe

Giuseppe Mattioli
ISM-CNR
Italy

Quoting N S <ns2665 at yahoo.com>:

> Dear all
> I want to put different partial charge to all atoms in scf and  
> phonon calculations. Can anybody tell me how I can do it in Quantum  
> espresso?
> scincerely yours.


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    Giuseppe Mattioli
    CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
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