Dear Lorenzo, Thanks a lot. I will look into the code. In the mean time I found a paper which talks about generation of special k points and evaluation of their weight. Its by Chadi & Cohen, Phys. Rev. B, 8,5747-5753 (1973). They have some examples in it too.
Regards, Manoj Srivastava University of Florida, Gainesville, FL On Mon, 3 Aug 2009, Lorenzo Paulatto wrote: > In data 31 luglio 2009 alle ore 16:25:39, Manoj Srivastava > <manoj at phys.ufl.edu> ha scritto: > > > Dear All, > > I was wondering if someone can tell me, how to generate k point weights > > in the BZ. Reference of a paper would be great! > > Dear Manoj, > you can find the algorithm tha tgenerates points and weights in > pwtools/kpoints.f > The obvious reference is the original article from Monkhorst and Pack: > Phys. Rev. B 13, 5188 - 5192 (1976), although I don't know if they give an > explicit formulation for the weights there (weights depend on how many > symmetry-equivalent copies of a point are present in the set, not on the > generation algorithm). > > cheers > > > -- > Lorenzo Paulatto > SISSA & DEMOCRITOS (Trieste) > phone: +39 040 3787 511 > skype: paulatz > www: http://people.sissa.it/~paulatto/ > > *** save italian brains *** > http://saveitalianbrains.wordpress.com/ > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >