Commit f139268b authored by Hagen-Henrik Kowalski's avatar Hagen-Henrik Kowalski
Browse files

minor bugfixes

parent d6f292e2
......@@ -61,8 +61,8 @@ if __name__ == '__main__':
name = args.mainFileUri
T, V, alpha, B, Free, cV = np.loadtxt("Quasi-harmonic_properties.txt").T
cV = kBoltzmann / JmolToEv * cV
cubAtocubm = convert_unit_function('a**3', 'm**3')
eVpercubAtoJoulespercubm = convert_unit_function('eV*a**-3', 'joules*m**-3')
cubAtocubm = convert_unit_function('angstrom**3', 'meter**3')
eVpercubAtoJoulespercubm = convert_unit_function('eV*angstrom**-3', 'joules*meter**-3')
eVtoJoules = convert_unit_function('eV', 'joules')
eVperKtoJoules = convert_unit_function('eV*K**-1', 'joules*K**-1')
Free = eVtoJoules(Free)
......
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