Dear Prof. Blaha Thank you for your help. Does it make any problem if I just scale down k_z ans use same *.kgen file ? I have tetragonal structure and generate k-points as standard method. After that I make new klists by k_x*5, k_y*5, kz, IDIV*5 for 0.0 < k_z <0.1 and by k_x*5, k_y*5, kz+0.2*IDIV*5, IDIV*5 for 0.2 < k_z <0.3 Can I use these "klist" with standard *.kgen file which generated by "x kgen" for k-slab DOS ?
Regards, Yongbin > No, not with the standard WIEN2k tools. > > Most easy solution: Select only those k-points you want in your k-region, > run lapw1, take the resulting case.energy file and create a "histogram" > of the energies (and broaden it afterwards a bit). > > Alternatively you would have to dig into SRC_kgen and "understand" case.kgen. > Every tetrahedra has 4 vertices of k-points and by some means you have to > select, which tetrahedra you want to sum together. These selected summations > have to be done in SRC_tetra. > > Yongbin Lee schrieb: > > Dear Users, > > Is it possible to calculate DOS for a specific k-space ? > > I am wondering if I can calculate DOS for just 0.1 < k_z < 0.3 region, not > > whole > > zone. > > > > Best > > Yongbin > > > > > > _______________________________________________ > > Wien mailing list > > Wien at zeus.theochem.tuwien.ac.at > > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > -- > > P.Blaha > -------------------------------------------------------------------------- > Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna > Phone: +43-1-58801-15671 FAX: +43-1-58801-15698 > Email: blaha at theochem.tuwien.ac.at WWW: > http://info.tuwien.ac.at/theochem/ > -------------------------------------------------------------------------- > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >