Back to the main page of this manual  Input reference of CP2K version 7.0 
CP2K_INPUT /
FORCE_EVAL /
DFT /
PRINT /
BAND_STRUCTURE /
KPOINT_SET
NPOINTS {Integer} 

Number of kpoints along the line. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one integer.  
Default value:
0 
SPECIAL_POINT {Word} ... 

Name and coordinates of a special kpoint [Edit on GitHub]  
This keyword can be repeated and it expects a list of words. 
UNITS {Word} 

Special kpoints 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 2*Pi/Angstrom. CART_BOHR: In units of 2*Pi/Bohr. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one word.  
Default value:
B_VECTOR 
Back to the main page of this manual or the CP2K home page  (Last update: 19.9.2019) 