The ABINIT Users Mailing List ( CLOSED )

[Steven Kirk <Steven.Kirk@htu.se>]

Hello Pascal (and Xavier),

Following on from the other excellent post re: minerals, please see:

# "Quantitative analysis of bonding in 90 degree partial dislocation in 
diamond", S. Jenkins and M.I. Heggie, J. Phys: Condens. Matter 12 (2000) 
10325-10333

and

# "Direct space representation of metallicity and structural stability 
in SiO solids", S. Jenkins, J. Phys.: Condens. Matter 14 (2002) 10251-10263.

Contact Samantha.Jenkins@htu.se for more information about either paper.

Xavier Gonze wrote:
> There is a AIM help file http://www.abinit.org/Infos_v4.6/ aim_help.html .
>
> I am pretty sure there exists some chemist literature about the  
> significance of critical points, and likely
> their behavior when a bond is broken. I am not aware of  a similar study
> in the solid state physics community (but I did not made a search).  One 
> can imagine a tool based
> on the study of the critical points (or other topological  indicators), 
> to understand better fracture...
> Interesting,
> Xavier


--
Dr. Steven R. Kirk          <Steven.Kirk@htu.se, S.R.Kirk@physics.org>
Dept. of Computer Science, TMD               http://taconet.webhop.org
Univ. of Trollhattan/Uddevalla   Ph: +46 520 475318 Fax:+46 520 475399
P.O. Box 957 Trollhattan 461 29 SWEDEN