diff --git a/phonopy/qha/core.py b/phonopy/qha/core.py index a7e5284b..79190e1f 100644 --- a/phonopy/qha/core.py +++ b/phonopy/qha/core.py @@ -733,10 +733,10 @@ class QHA(object): t = self._temperatures[i] wve.write("# temperature %20.15f\n" % t) wve.write("# %20.15f %20.15f %20.15f %20.15f %20.15f\n" % - tuple(self._volume_cv_parameters[i - 1])) + tuple(self._volume_entropy_parameters[i - 1])) wvcv.write("# temperature %20.15f\n" % t) wvcv.write("# %20.15f %20.15f %20.15f %20.15f %20.15f\n" % - tuple(self._volume_entropy_parameters[i - 1])) + tuple(self._volume_cv_parameters[i - 1])) for ve, vcv in zip(self._volume_entropy[i - 1], self._volume_cv[i - 1]): wve.write("%20.15f %20.15f\n" % tuple(ve))