[Wien] AIM: Laplacian ?
Georg Eickerling
georg.eickerling at physik.uni-augsburg.de
Fri Nov 28 11:14:27 CET 2003
Dear WIEN users,
I know that the laplacian is being calculated in the AIM-part of WIEN when
doing a BCP search/characterization.
I would like to know if it is possible to obtain the Laplacian of the electron
density from a WIEN-calculation in form of a grid-file or any other format.
Thank you in advance for any help....
Georg Eickerling
============================
Dipl.-Chem. Georg Eickerling
Universität Augsburg
Institut für Physik
Lehrstuhl für Chemische Physik und Materialwissenschaften
Universitätsstr. 1
86159 Augsburg
Phone: +49-821-598-3358
FAX: +49-821-598-3227
E-Mail: georg.eickerling at physik.uni-augsburg.de
WWW: http://www.physik.uni-augsburg.de/cpm/
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