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

[Hosein Khani]

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 of the reciprocal lattice vector a*. We
appreciate any help.

Best Regard
Hosein
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[Wien] DOS

[Hosein Khani]

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
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