They are not purely gamma, X, etc. The only way to tell their predominant character is to project them over a basis of Bloch states of definite wavevector (plane waves, for instance, or eigenvectors of a lattice-periodic Hamiltonian), and assign them the (approximate) wavevector that maximizes the overlap.
SB On Jan 19, 2013, at 1:09 PM, ramzi alaya wrote: > > Dear Stefano > If we made calculations with a supercell to treat the case of alloys, we > actually aliasing Brillouin zone to the gamma point. The states of type X are > thus in gamma. My question is how I can identify among the states which we > observe in gamma, those from gamma, X or L etc. --- Stefano Baroni - http://stefano.baroni.me, stefanobaroni (skype) on leave of absence from SISSA, Trieste, presently at the Department of Materials, EPF Lausanne (until March 2013) I believe in the despotism of human life and happiness against the liberty of money and possessions - John Steinbeck -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130119/451b7efd/attachment-0001.html
