Hi everyone.
I calculated the eigenvalues and wavefunctions for different k point inside the
first Brillouin Zone. My system is a Graphene Monolayer. Because of the
complexity of the?calculation I?have to do with the eigenfunctions, I need to
exploit the symmetry of the Brillouin Zone.?
I calculated the band structure in k points connected one to another by
symmetry operations, for instance the 6 K points of the 2D graphene lattice.
In fact I find out that the corresponding eigenvalues for?each K point?differ
very slightly. I obtained also the eigenvectors using the pw_export utility of
the package, but I wasn't able to find the connection between the eigenvectors.
I noticed that the number of planewaves used for the k points linked by the
symmetry connection is the same, but the palnewaves used are different, of
corse. I know that the code exploit the symmetries so?my question is?can anyone
tell me what is the connection between the eigenfunction corresponding to?k
points connected by symmetry operations? If there is any, of corse.
Thank you.
?Michele Pisarra, PhD Student,
Dipartimento di Fisica, Universit? della Calabria
Via P. Bucci, Cubo 31 C VI piano, 87036, Rende (CS), Italy
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