[Wien] How to show Charge density in contour plots interms of Numerical values on each isoline ?

Saeid Jalali s_jalali_a at yahoo.com
Sat Nov 23 19:27:11 CET 2013


You can use CRITIC2 code, which performs Bader analysis using the generated electron charge densities by WIEN2k code, see below:

http://www.wien2k.at/reg_user/unsupported/

http://azufre.quimica.uniovi.es/software.html


 
Sincerely yours,
S. Jalali
/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/
Saeid Jalali Asadabadi,
Department of Physics, Faculty of Science,
University of Isfahan (UI), Hezar Gerib Avenue,
81744 Isfahan, Iran.
Phones:
Dep. of Phys.   :+98-0311-793 2435
Office               :+98-0311-793 4776
Fax No.            :+98-0311-793 4800
E-mail              :sjalali at phys.ui.ac.ir
                          :sjalali at sci.ui.ac.ir
                          :sjalali at mailaps.org
                          :saeid.jalali.asadabadi at gmail.com
                          :s_jalali_a at yahoo.com
Homepage        :http://sci.ui.ac.ir/~sjalali
www                  :http://www.ui.ac.ir
/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/




On Tuesday, November 19, 2013 4:57 PM, Masood Yousaf <masoodyousaf1 at yahoo.com> wrote:
 
Respected Community Members

We want to view charge density in contour plots as a Numerical value on each isoline instead of colour basis as indicated by thermometer. Kindly provide guiding steps to complete this task. I will be grateful for your help.


Thank You

Best wishes
Masood

_______________________________________________
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20131123/3ac4bfa7/attachment.htm>


More information about the Wien mailing list