[Pw_forum] High symmetry Kpoint for band structure calculation for ibrav=-12

Ridwan Agbaoye agbaoyeridwan at yahoo.com
Fri Mar 25 22:43:13 CET 2016


Good day all
I appreciate the forum support all this while, i am grateful

I have been working on a molecular crystal for a while, now i am at the stage of plotting the band structure. please i need to be guided on how to determine my high symmetry kpoint required for band structure plot for a monoclinic system with ibrav=-12 . 
I will appreciate if i can get literatures that can guide me on how to determine the high symmetry point
Agbaoye, Ridwan OlamideFederal University of Agriculture, AbeokutaM.Sc(in view)
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160325/a23e9129/attachment.html>


More information about the users mailing list