visualize supercell

Total energy, geometry optimization, DFT+U, spin....

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cengiz
Posts: 22
Joined: Tue Sep 25, 2012 3:36 pm

visualize supercell

Post by cengiz » Wed Jan 30, 2013 12:50 pm

how can we visualize supercell . are there any information about coordinate of supercell's atom in out file ?
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ljludwig
Posts: 77
Joined: Fri Jun 08, 2012 5:19 am

Re: visualize supercell

Post by ljludwig » Tue Feb 05, 2013 7:09 pm

Visualization is easy, using cut3d to reshape the DEN file, and then use Xcyrsden to show the figure. You may want to see this:

http://www.abinit.org/documentation/hel ... tools.html
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