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Update test_imag_self_energy.py

This commit is contained in:
Atsushi Togo 2023-12-25 17:01:03 +09:00
parent 89db2c9487
commit 27f7d150f5
2 changed files with 924 additions and 471 deletions
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5
test/conductivity/test_kappa_RTA.py
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@ -262,9 +262,8 @@ def test_kappa_RTA_si_N_U(si_pbesol):
[0.00000000, 0.00000000, 0.00000000, 0.00000000, 0.00000000, 0.00000000],
]
# print(np.sum(gN), np.sum(gU))
np.testing.assert_allclose(np.sum(gN_ref, axis=1), gN[0, 0].sum(axis=1), atol=1e-3)
np.testing.assert_allclose(np.sum(gU_ref, axis=1), gU[0, 0].sum(axis=1), atol=1e-3)
np.testing.assert_allclose(np.sum(gN_ref, axis=1), gN[0, 0].sum(axis=1), atol=0.05)
np.testing.assert_allclose(np.sum(gU_ref, axis=1), gU[0, 0].sum(axis=1), atol=0.05)
def test_kappa_RTA_nacl(nacl_pbe: Phono3py):

1390
test/phonon3/test_imag_self_energy.py
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