The total number of k points in the full BZ is given by the multiplication of the three integers in parenthesis at the first line of case.klist.
On Sun, 1 Jul 2012, xiao.jianping at bccms.uni-bremen.de wrote: > Dear All, > > Thanks a lot! I have used 2*2*2 k sampling in CRYSTAL code for IBZ > (including 32 atoms, semiconducter). For your experience, if this number > is basic sufficient for semiconducter? The property is converged already. > Where I can check the k point number in wien2k? The case.klist is for IBZ > or full BZ? > > All the best > Jianping > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >
