zinc blende 111 surface..

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

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ucchausaigon
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Joined: Wed Oct 22, 2014 1:51 pm

zinc blende 111 surface..

Post by ucchausaigon » Tue Nov 04, 2014 1:23 pm

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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