zinc blende 111 surface

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

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Yesheng
Posts: 11
Joined: Mon Sep 03, 2012 10:09 pm

zinc blende 111 surface

Post by Yesheng » Mon Feb 11, 2013 1:27 am

I'm doing some surface energy calculations for the zinc blende 111 surface, and I was wondering if anyone is familiar with how to obtain the fractional coordinates of the zinc blende 111 planes? If you could point me to any tools or software that help visualize the atomic coordinates, that would be greatly appreciated. Thanks a lot.

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