______________________ TestRandomDisplacements.test_NaCl _______________________

self = <test.phonon.test_random_displacements.TestRandomDisplacements testMethod=test_NaCl>

    def test_NaCl(self):
        """Test by fixed random numbers of np.random.normal
    
        randn_ii and randn_ij were created by
    
            np.random.seed(seed=100)
            randn_ii = np.random.normal(size=(N_ii, 1, num_band))
            randn_ij = np.random.normal(size=(N_ij, 2, 1, num_band)).
    
        numpy v1.16.4 (py37h6b0580a_0) on macOS installed from conda-forge
        was used.
    
        """
    
        phonon = self._get_phonon_NaCl()
        rd = RandomDisplacements(phonon.supercell,
                                 phonon.primitive,
                                 phonon.force_constants,
                                 cutoff_frequency=0.01)
        num_band = len(phonon.primitive) * 3
        N = int(np.rint(phonon.supercell.volume / phonon.primitive.volume))
        N_ij = N - len(rd.qpoints)
        N_ii = N - N_ij * 2
        shape_ii = (N_ii, 1, num_band)
        randn_ii = np.fromstring(randn_ii_str.replace('\n', ' '),
                                 dtype=float, sep=' ').reshape(shape_ii)
        shape_ij = (N_ij, 2, 1, num_band)
        randn_ij = np.zeros(shape_ij, dtype=float)
        randn_ij[:, 0, 0, :] = np.fromstring(
            randn_ij_str_1.replace('\n', ' '),
            dtype=float, sep=' ').reshape(N_ij, num_band)
        randn_ij[:, 1, 0, :] = np.fromstring(
            randn_ij_str_2.replace('\n', ' '),
            dtype=float, sep=' ').reshape(N_ij, num_band)
    
        rd.run(500, randn=(randn_ii, randn_ij))
    
        data = np.fromstring(disp_str.replace('\n', ' '), dtype=float, sep=' ')
>       np.testing.assert_allclose(data, rd.u.ravel(), atol=1e-5)
E       AssertionError: 
E       Not equal to tolerance rtol=1e-07, atol=1e-05
E       
E       Mismatched elements: 192 / 192 (100%)
E       Max absolute difference: 0.13824334
E       Max relative difference: 4.27892589
E        x: array([ 0.086047, -0.121369,  0.225956, -0.130415,  0.150978,  0.026314,
E              -0.07863 , -0.024818,  0.25071 ,  0.184087,  0.076944, -0.165589,
E               0.33707 ,  0.006281,  0.209698,  0.214342,  0.029129, -0.040215,...
E        y: array([ 0.093087, -0.18405 ,  0.231426, -0.129183,  0.109239,  0.031719,
E              -0.079812, -0.064275,  0.254599,  0.177097,  0.05843 , -0.161765,
E               0.345782, -0.054782,  0.212119,  0.217246, -0.010992, -0.03786 ,...

test/phonon/test_random_displacements.py:174: AssertionError
=========================== short test summary info ============================
FAILED test/phonon/test_random_displacements.py::TestRandomDisplacements::test_NaCl
============= 1 failed, 67 passed, 1 skipped in 113.71s (0:01:53) ==============