minor bugfixes

parser/parser-quasi-harmonic-properties/qhp.py

@@ -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)