[DFTB-Plus-User] Bader Charge Analysis

Ozan Dernek ozandernek at gmail.com
Sat Aug 22 01:17:48 CEST 2015


Greetings, 

I am trying to visualize my Bader charge analysis, and I stumbled upon your web site 
http://www.dftb-plus.info/fileadmin/DFTB-Plus/public/tools/waveplot/howtos/first_steps/html/node4.html 

which explains how to do it. However, there is something I could not understand, so could not apply your technique. When I load a .cube file from the structures that I am working on , the minimum isovalue is always bigger than zero. (I think this is why the charge density is always bigger than zero.) At this point, what I am missing and what should I do to use VMD to visualize my analysis ?
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