Commit 05d96102 authored by Hagen-Henrik Kowalski's avatar Hagen-Henrik Kowalski
Browse files

minor bugfix

parent f139268b
......@@ -60,7 +60,7 @@ if __name__ == '__main__':
material = line.split()[-3]
name = args.mainFileUri
T, V, alpha, B, Free, cV = np.loadtxt("Quasi-harmonic_properties.txt").T
cV = kBoltzmann / JmolToEv * cV
cV = kBoltzmann * cV
cubAtocubm = convert_unit_function('angstrom**3', 'meter**3')
eVpercubAtoJoulespercubm = convert_unit_function('eV*angstrom**-3', 'joules*meter**-3')
eVtoJoules = convert_unit_function('eV', 'joules')
......
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