What about taking the band structure and approximating $\frac{d^2E}{dk^2}$
along one of the symmetry lines by finite differences?Best regards, Marcos > Does anyone know how to calculate electron and hole effective mass using > SIESTA? > THANKS, > > Cherry > > > > ____________________________________________________________________________________ > TV dinner still cooling? > Check out "Tonight's Picks" on Yahoo! TV. > http://tv.yahoo.com/ > -- Dr. Marcos Verissimo Alves Post-Doctoral Fellow Condensed Matter and Statistical Physics Sector International Centre for Theoretical Physics Trieste, Italy -------- I have become so addicted to vi that I try to exit OpenOffice by typing :wq!
