k-points (kpoints.in)

This file is used to specify the k points needed for phonon calculations.

File format

The format of this file must be as follows:

# high symmetry points
k_points_x(0) k_points_y(0) k_points_z(0) name(0)
k_points_x(1) k_points_y(1) k_points_z(1) name(1)
...

Example

For example, the command:

0 0 0 G
0.5 0 0 M
0.333 0.333 0 K
0 0 0 G

or

0 0 0 G
0.5 0 0.5 X
0.625 0.25 0.625 U

0.375 0.375 0.75 K
0 0 0 G
0.5 0.5 0.5 L
0.5 0.25 0.75 W
0.5 0 0.5 X

Here, * The first three columns represent the coordinates of high symmetry points. The last column corresponds to names. * A blank line must be used to indicate a breakpoint or the start of a second path.