| 5:53:28 AM PDT - Fri, Jun 10th 2011 |
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Hi,
You performed a Gaussian basis set DFT calculation. Our Gaussian basis set module is purely for molecular or finite systems. If you want a band structure, you need to run the plane wave module for this system
Check the following tutorial in the Plane Wave DFT documentation page. It shows you how to performa band structure calculation on diamond.
http://nwchemgit.github.io/index.php/NWPW#Using_BAND_to_Calculate_the_Band_Structures_of_Dia...
Best,
-Niri
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