[Wannier] submartix

[Jonathan Yates]

On Mon, 14 Jul 2008, nafise rezaei wrote:

> I have a question about making submatrix 31 equation of "spectral and
> fermi surface properties from wannier interpolation" paper.
> You suppose second and third bands are degenerate(differ less than
> 10-4 eV). In the same kpoint third and forth
> bands are degenerate, but second and forth bands aren't degenerate,
> ie. don't differ less than 10-4 eV.(at some of band edeges, for example)
> in this case how are submatrix  H^W_alpha made?all of 2,3,4 bands use
> to make one submatrix? Is submatrix  3*3?

Nafise,

  I think in such a situation you should make and diagonalise the 3x3 
matrix. Of course, do check it numerically (as per my last email).

  Jonathan


-- 
Dr Jonathan Yates         |    Theory of Condensed Matter Group
Corpus Christi College    |    Cavendish Laboratory
Cambridge, CB2 1RH, UK    |    Cambridge, CB3 OHE, UK
email jry20 at cam.ac.uk     |    Tel +44 (0)1223 337461