esta.kspace.kgrid
¶
gen_kgrid(grid)
¶
generate kpt grid in kspace
input:
grid: list of 3 integers
ouptut:
filename: creates kpt_whole-zone.dat, according to vasp format
get_kgrid(grid, style=None)
¶
input:
grid: list of 3 integers
ouptut:
kgrid: array of shape defined by the input indices present in grid
e.g. grid = [3,32,12] => kpt grid of dimensions (3, 32, 12) along
the 3 axis of the reciprocal space lattice