The ABINIT Users Mailing List ( CLOSED )

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

Dear Abiniters,

Hello I have two questions

(1) Which is the best C psuedopotential to use in a nanotube to produce the 
Bader point properties at the BCP(bond critical point).

(2) I only require the Bader point properties at the BCPs so do I need to add 
the core charge in order for the Bader program to work?


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