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Fix labels in plot_thermodynamic_properties #1857

Merged
merged 1 commit into from
May 29, 2020
Merged

Fix labels in plot_thermodynamic_properties #1857

merged 1 commit into from
May 29, 2020

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ab5424
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@ab5424 ab5424 commented May 29, 2020

The labels seem to be incorrect (see

def internal_energy(self, t, structure=None):
"""
Phonon contribution to the internal energy at temperature T obtained from the integration of the DOS.
Only positive frequencies will be used.
Result in J/mol-c. A mol-c is the abbreviation of a mole-cell, that is, the number
of Avogadro times the atoms in a unit cell. To compare with experimental data the result
should be divided by the number of unit formulas in the cell. If the structure is provided
the division is performed internally and the result is in J/mol
and
def helmholtz_free_energy(self, t, structure=None):
"""
Phonon contribution to the Helmholtz free energy at temperature T obtained from the integration of the DOS.
Only positive frequencies will be used.
Result in J/mol-c. A mol-c is the abbreviation of a mole-cell, that is, the number
of Avogadro times the atoms in a unit cell. To compare with experimental data the result
should be divided by the number of unit formulas in the cell. If the structure is provided
the division is performed internally and the result is in J/mol
respecitvely)

@mkhorton mkhorton merged commit 4454178 into materialsproject:master May 29, 2020
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Thanks for noticing and submitting the fix @ab5424!

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2 participants