Commit dbbeb6e7 authored by Lauri Himanen's avatar Lauri Himanen
Browse files

Fixed issues with normalization factor and heat capacity name.

parent 99e9e776
Pipeline #109160 passed with stages
in 41 minutes and 29 seconds
......@@ -98,7 +98,7 @@ def test_dos_magnitude(dos_si_vasp: EntryArchive, dos_si_exciting: EntryArchive,
"""
def get_dos_values_normalized(archive):
total_dos = archive.run[0].calculation[-1].dos_electronic[-1].total
return np.array([d.value / d.normalization_factor for d in total_dos])
return np.array([d.value * d.normalization_factor for d in total_dos])
dos_vasp = get_dos_values_normalized(dos_si_vasp)
dos_exciting = get_dos_values_normalized(dos_si_exciting)
......
......@@ -556,9 +556,10 @@ def test_phonon(test_user, proc_infra):
# Check thermodynamical properties
assert thermo_props is not None
assert thermo_props.heat_capacity_c_v is not None
assert thermo_props.specific_heat_capacity is not None
assert thermo_props.heat_capacity_c_v_specific is not None
assert thermo_props.temperature is not None
assert thermo_props.vibrational_free_energy_at_constant_volume is not None
assert thermo_props.vibrational_free_energy_at_constant_volume_specific is not None
def test_elastic(elastic: EntryArchive):
......
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