[Wannier] projection for Kagome lattice

da wang njuwangda at gmail.com
Thu Nov 17 06:21:06 CET 2011


Dears,

As we know, for the graphene-type lattice, sp2 hybridyzation orbital is a
proper candidates for the wannier orbital, that is, we should set sp2 for
the projection block.

Now I am treating Kagome-type lattice, when I put all possible orbitals
(s,p,d) in, I cannot get real hoppings. I think maybe my input projection
has some problem (Both the initial guess orbital and center position). So
which kind of input projections is proper for a Kagome-type lattice?

Thanks,

Da Wang
Nanjing Univ.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20111117/0d996964/attachment.html>


More information about the Wannier mailing list