The ABINIT Users Mailing List ( CLOSED )

[franz.mayr@physik.uni-augsburg.de]

Dear abinit community!

I'm just about to start using abinit (the Windows version, thanks to  Nuno A. 
G. Bandeira!). As we are primarily interested in the Bader-analysis of the 
charge density (especially in the calculation of the critical points), we 
need some information about the AIM unility:

Is there a way to use other input file formats than the binary _DEN format? 
Especially, the cube-Format would be nice!

If not, can the CUT3D utility be used somehow to generate the _Den format out 
of a formatted ASCII input? Maybe this could be implemented in a future 
version. (We have already managed to read and manipulate a cube density file 
with CUT3D.)

Or does anyone know a way how to calculate the CP from a cube file?

Thank you for your help!

============================
Dr. Franz Mayr
Universität Augsburg
Institut für Physik
Lehrstuhl für Chemische Physik und Materialwissenschaften
Universitätsstr. 1
86159 Augsburg
Germany