Hi everyone,
I was trying to calculate the band structure of a graphene sheet with defects and for this I was trying to benchmark the structure for a defect-free sheet, and my unit cell has 4 atoms, so the lattice is actually rectangular not hexagonal. How do I read the output band structure, so that I can get the familiar band structure for the high symmetry points? (band folding?)
Thanks in advance for any help!!!
Basic question
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susantt
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Basic question
Last edited by susantt on Mon Sep 13, 2010 12:07 am, edited 1 time in total.
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support_vasp
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Re: Basic question
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