minor bugfix

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

@@ -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')