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Fix test of force constants calculation with QE calculator
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atztogo committed Nov 20, 2023
1 parent 152c418 commit 717c2f7
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Binary file added test/cui/phono3py_params-qe-Si222.yaml.xz
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2 changes: 0 additions & 2 deletions test/cui/test_phono3py_load_script.py
Original file line number Diff line number Diff line change
Expand Up @@ -99,8 +99,6 @@ def test_phono3py_with_QE_calculator(load_phono3py_yaml):
with pytest.raises(SystemExit):
main(**argparse_control)

print(cwd_called.iterdir())

with h5py.File(cwd_called / "kappa-m111111.hdf5", "r") as f:
np.testing.assert_almost_equal(f["kappa"][0, 0], 118.93, decimal=1)

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