[xcrysden] How to quantify charge density (as a single value of charge density) along certain Bond length Via Xcrystalden

[Georg Eickerling]

Hi again,

I guess the answers here will be the same than on the Wien2K list: Use
QTAIM!

cheers

Georg


Am Thu, 16 Jan 2014 04:42:20 -0800 (PST)
schrieb Masood Yousaf <masoodyousaf1 at yahoo.com>:

> Dear Fellows
> 
> I know how to calculate contour charge density plots
>  for certain planes. I want to quantify the charge density (as a
> single value of charge density) in between two species i.e., along
> the bond length. Kindly suggest a way to quantify the charge
> density.  
> 
> 
> Thank You
> Best wishes
> Masood
> Universiti Tecknologi Malaysia



-- 
============================
Dr. Georg Eickerling
Universitaet Augsburg
Institut fuer Physik
Lehrstuhl fuer Chemische Physik und Materialwissenschaften
Universitaetsstr. 1
86159 Augsburg

E-Mail:	georg.eickerling at physik.uni-augsburg.de
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