ASE Manual Release 3.6.1.2825 CAMd - CampOS Wiki

get_monkhorst_pack_size_and_offset([[0, 0, 0]])
(array([1, 1, 1]), array([ 0., 0., 0.]))
Chadi-Cohen
Predefined sets of k-points:
dft.kpoints.cc6_1x1
dft.kpoints.cc12_2x3
dft.kpoints.cc18_sq3xsq3
dft.kpoints.cc18_1x1
dft.kpoints.cc54_sq3xsq3
dft.kpoints.cc54_1x1
dft.kpoints.cc162_sq3xsq3
dft.kpoints.cc162_1x1
Naming convention: cc18_sq3xsq3 is 18 k-points for a sq(3)xsq(3) cell.
Try this:
>>> import numpy as np
>>> import pylab as plt
>>> from ase.dft.kpoints import cc162_1x1
>>> B = [(1, 0, 0), (-0.5, 3**0.5 / 2, 0), (0, 0, 1)]
>>> k = np.dot(cc162_1x1, B)
>>> plt.plot(k[:, 0], k[:, 1], ’o’)
[]
>>> p.show()
ASE Manual, Release 3.6.1.2828
7.22. Density Functional Theory 157