[Wien] Reg: bader analysis

[Jameson Maibam]

Dear Tarik,
I am intrested in your work with critic package. I tried to use it with wien2k 11. But the user guide is too tough for me to follow. Would you please help me.
Thanks in advance

Yours sincerely
Jameson Maibam
 

________________________________
 From: Tarik Ouahrani <tarik_ouahrani at hotmail.com>
To: wien2k mailing <wien at zeus.theochem.tuwien.ac.at> 
Sent: Monday, 24 September 2012 12:06 AM
Subject: Re: [Wien] Reg: bader analysis
  

 
Hi Swetarekha
Ram, 
You can use
the critic code implemented by Albero Otero de la roza 
http://azufre.quimica.uniovi.es/software.html  
please see
these references for more information  
http://iopscience.iop.org/1402-4896/86/2/025706 
http://www.sciencedirect.com/science/article/pii/S092145261200590X 
Tarik 
Best regards 



________________________________
Date: Sun, 23 Sep 2012 22:59:20 +0530
From: swetarekharam at gmail.com
To: wien at zeus.theochem.tuwien.ac.at; kanchana at iith.ac.in
Subject: [Wien] Reg: bader analysis

Dear Wien2k users,


I am trying to analyse the charge transfer inside the molecule. For that I ran the AIM programme.     
I got the out put. But My doubt is, how can I get the amount of charge transfer from the one atom to another.

I have seen in many paper, where people used to plot the charge density plots with the label amount of charge transferred by the individual atom.

I need some suggestion.

And also I need some help regarding details about the AIM programme.

-- 
Swetarekha Ram,
Research Scholar,



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