KPOINT_SET
Section can be repeated.
Specifies a k-point line to be calculated. [Edit on GitHub]
Keywords
Keyword descriptions
- NPOINTS: integer = 0
Number of k-points along the line. [Edit on GitHub]
- SPECIAL_POINT: string
Keyword can be repeated.
Usage: SPECIAL_POINT GAMMA 0.0 0.0 0.0
Name and coordinates of a special k-point [Edit on GitHub]
- UNITS: string = B_VECTOR
Usage: UNITS
Special k-points are defined either in units of reciprocal lattice vectors or in Cartesian coordinates in uints of 2Pi/len. B_VECTOR: in multiples of the reciprocal lattice vectors (b). CART_ANGSTROM: In units of 2Pi/Angstrom. CART_BOHR: In units of 2Pi/Bohr. [Edit on GitHub]