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 ________________________________ List-Post: [email protected] Date: Sun, 23 Sep 2012 22:59:20 +0530 From: [email protected] 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, _______________________________________________ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien _______________________________________________ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120924/5d2f19ab/attachment.htm>
