[Wien] Problem with k-vectors in "filename. spaghetti_ene"

The first three columns of "filename.spaghetti_ene" seem to represent the (kx,ky,kz) in the chosen path (by xcrysden) for band plot.However, they don't give the expected results. For example for a hexagonal structure, like MoS2,the angle Gamma-M-K is not 90 deg. Also Gamma-M is not equal to half

[Wien] DOS

After plotting DOS for orbitals totally and partially (for instance total d, dz2, dx2y2,...), it is always observed that the total DOS is not the sum of partial DOS! Could you please tell me the reason? Yours Hosein ___ Wien mailing list