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Bader's volumes
Posted: Sat Apr 12, 2008 7:17 pm
by VTur
Can I calculate magnitudes of Bader’s volumes by means of your program “Bader” from file *.cub?
Re: Bader's volumes
Posted: Sun Apr 13, 2008 2:08 am
by graeme
The program will read and analyze cube files.
Re: Bader's volumes
Posted: Sun Apr 13, 2008 4:30 pm
by VTur
But, will I have values of Bader's volumes of atoms within contour 0.001 a.e.?
Re: Bader's volumes
Posted: Sun Apr 13, 2008 7:42 pm
by graeme
This is a grid-based analysis method, so the accuracy of the method will depend upon the resolution of your grid.