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Strings of k-points for bandstructure calculations

To generated ``strings'' of k-points connecting specific points
of the Brillouin zone, the third line of the KPOINTS file must
start with an ``L'' for line-mode:

k-points along high symmetry lines
40 ! 40 intersections
Line-mode
cart
0 0 0 ! gamma
0 0 1 ! X
0 0 1 ! X
0.5 0 1 ! W
0.5 0 1 ! W
0 0 1 ! gamma

VASP will generate 10 k-points, between the first and the second supplied
point, 10 k-points between the third and the fourth, and another 10 points between
the final two points. The coordinates of the k-points can be
supplied in cartesian (4th line starts with c or k) or in reciprocal
coordinates (4th line starts with r):
k-points along high symmetry lines
40 ! 40 intersections
Line-mode
rec
0 0 0 ! gamma
0.5 0.5 0 ! X
0.5 0.5 0 ! X
0.5 0.75 0.25 ! W
0.5 0.75 0.25 ! W
0 0 0 ! gamma

This particular mode is useful for the calculation of band-structures.
When band structures are calculated, it is required to perform a fully
selfconsistent calculations with a full k-point grid (see below) first,
and to perform a non-selfconsistent calculation next
(ICHARG=11, see Sec. 6.15, 9.3).
Here is another example file for hexagonal structures:

k-points along high symmetry lines for hexagonal str.
40
line
rec
0.000 0.000 0.500 ! A
0.000 0.000 0.000 ! Gamma
0.000 0.000 0.000 ! Gamma
0.500 0.000 0.000 ! M
0.500 0.000 0.000 ! M
0.333333 0.333333 0.000 ! K
0.333333 0.333333 0.000 ! K
0.000 0.000 0.000 ! Gamma

N.B. Requests for support are to be addressed to: vasp.materialphysik@univie.ac.at