The ABINIT Users Mailing List ( CLOSED )

["Samantha Jenkins" <Samantha.Jenkins@htu.se>]

Dear abinit users,

I am new to abinit, can you tell me if abinit can be used to obtain AIM 
(atoms in molecules, Bader analysis) using psuedopotentials? I am looking for 
these quantities at the BCP (bond critical point) only?
Such and rho and laplacian (rho) and the eigenvectors.
I know that psuedopotentails and AIM are in principle OK as long as the 
psuopotential is not too hard core. 


Thanks for any advice,

Best wishes

Samantha J

Dr. Samantha Jenkins                 H       Ph. +46 (0)520 475318
Dept. of Informatics & Mathematics    \      Fax +46 (0)520 475399
University of Trollhattan/Uddevalla    O:    Samantha.Jenkins@htu.se
P.O. Box 957, Trollhattan             /      S.Jenkins@physics.org
SE 461 29 Sweden                     H