[Pw_forum] charged cells

[Karoly Nemeth]

Thank you very much Nicola!

Karoly

> Dear Karoly,
> 
> a good start is Makov and Payne 1995,
> and several papers (PRL) of Peter Schultz, Sandia.
> 
> And basic ref. on Ewald sums - I believe the Marx Hutter review
> has some (on the web on Dominik Marx site), or a bit our
> recent JCP 2006.
> 
> nicola
> 
> 
> Karoly Nemeth wrote:
> >  
> > Dear PWSCF users,
> >  
> > I want to make PWSCF calculations on charged cells (where the sum of 
> > charges is not zero for the simulation cell). I am looking for useful 
> > references to learn what I should pay attention to for such calculations. 
> > I appreciate your suggestions for such references in advance, 
> > best regards:
> >  
> > Karoly 
> > 
> > _______________________________________________
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> > Pw_forum at pwscf.org
> > http://www.democritos.it/mailman/listinfo/pw_forum
> 
> 
> 

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Karoly Nemeth, Ph.D.
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