[Pw_forum] charge density map

[Stefano Baroni]

I think that this kind of questions should be better addressed to (and answered by) a local supervisor ...
SB

On Sep 22, 2011, at 10:54 PM, Tram Bui wrote:

> Dear Everyone,
>     I have done my charge density calculation and the contour maps for my bulk SiC. I also see the scale based on the thermometer around each atom (Si, C). But my questions is what should I focus on in order to help me understand the charge density map ? what information can I get out of the charge density contour maps?
> 
> Regards,
>  
> Tram Bui
> 
> M.S. Materials Science & Engineering
> trambui at u.boisestate.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)

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

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