File: test_kpt_density_monkhorst_pack.py

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import numpy as np
from ase import Atoms
from ase.calculators.calculator import kptdensity2monkhorstpack as kd2mp


def test_mp():
    kd = 25 / (2 * np.pi)
    a = 6.0
    N = kd2mp(Atoms(cell=(a, a, a), pbc=True), kd)[0]
    assert N * a / (2 * np.pi) >= kd, 'Too small k-point density'