[Pw_forum] electronic density

Stefano Baroni baroni at sissa.it
Fri Nov 21 14:27:19 CET 2008


(number of electrons in the unit cell) / (volume of the unit cell)

no need of quantum espresso, not even of a computer
SB

On Nov 21, 2008, at 1:34 PM, jorge.gallardo at cab.cnea.gov.ar wrote:

> hello!
> somebody knows if there is a way to get the average electronic density
> (the same if it was a jellium) of a crystal in the files x.y.out from
> pw.x, pp.x, etc... ?
>
> thanks
>
> jorge
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum



---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
Trieste
http://www.sissa.it/~baroni / [+39] 040 3787 406 (tel) -528 (fax) /  
stefanobaroni (skype)

La morale est une logique de l'action comme la logique est une morale  
de la pensée - Jean Piaget

Please, if possible, don't  send me MS Word or PowerPoint attachments
Why? See:  http://www.gnu.org/philosophy/no-word-attachments.html






-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20081121/349f0fbf/attachment.htm 


More information about the Pw_forum mailing list