casm.vasp.io.Kpoints¶
-
class
casm.vasp.io.Kpoints(filename)[source]¶ - The Kpoints class contains:
self.header: (str) the first line from the KPOINTS file being read self.num_points: (int) contains the value in the second line (0=>automatic) self.subdivisions: (list of int) the number of kpoints along each of the vectors in reciprocal space
or the kpoint total “length” if the mode is Automatic
self.automode: (str) Gamma/Monkhorst-Pack/Automatic self.shift: (list of float) the shifts that are added to the automatically generated points
Constructs a Kpoints object from a KPOINTS file
Methods
__init__(filename)Constructs a Kpoints object from a KPOINTS file
density(poscar)Return the kpoint density with respect to a Poscar.
read(filename)Reads a KPOINTS file
super_kpoints(prim, super)Assuming ‘self’ is the kpoints associated with a PRIM, it uses a scaling method to calculate
write(filename)Write a KPOINTS file