For those interested this seems to have worked. Apparently there is something wrong with the way I generate supercells, but when I typed it out by hand it worked. Thanks.
Yes, that was a typo. Regardless, thanks for the excellent reply it helped greatly.
EDIT: Just one quick question to make sure I'm assuming right, does
\vec c_{\vec k,n}= e^{i \vec k \cdot \vec R_n}
Where \vec R_n is a vector pointing from some origin to the atom labeled n?
Lastly, is...
Hello all,
I have been having trouble getting my tight binding code to work. For those interested, I am using an spds* orbital basis set on silicon and coding in matlab.
My largest problem is that I simply cannot find out what is wrong with my code so I am inclined to think that I have...