[Pw_forum] 2D special points
Nicolas Chamel
nchamel at ulb.ac.be
Thu Apr 26 22:27:20 CEST 2007
>This web page and the references contained there in might be useful:
>http://cst-www.nrl.navy.mil/bind/kpts/
Thank you very much. Actually for 3D calculations I'm currently using the formulae of reference J. Hama, M. Watanabe, General formulae for the special points and their weighting factors in k-space integration, J. Phys.: Condens. Matter 4 (1992) 45834594. For someone like me who doesn't know much how to determine the weights of the special points, these formulae are providential!
Nicolas Chamel.
Institut d'Astronomie et d'Astrophysique
Universite Libre de Bruxelles
CP 226
Boulevard du Triomphe
B-1050 Brussels
BELGIUM
tel. +32 2 650 35 72
fax. +32 2 650 28 64
More information about the Pw_forum
mailing list