コード例 #1
0
ファイル: conductivity_RTA.py プロジェクト: Maofei/phonopy
 def _get_cv(self, freqs):
     cv = np.zeros((len(self._temperatures), len(freqs)), dtype='double')
     # T/freq has to be large enough to avoid divergence.
     # Otherwise just set 0.
     for i, f in enumerate(freqs):
         finite_t = (self._temperatures > f / 100)
         if f > self._cutoff_frequency:
             cv[:, i] = np.where(
                 finite_t, get_mode_cv(
                     np.where(finite_t, self._temperatures, 10000),
                     f * THzToEv), 0)
     return cv
コード例 #2
0
 def _get_cv(self, freqs):
     cv = np.zeros((len(self._temperatures), len(freqs)), dtype='double')
     # T/freq has to be large enough to avoid divergence.
     # Otherwise just set 0.
     for i, f in enumerate(freqs):
         finite_t = (self._temperatures > f / 100)
         if f > self._cutoff_frequency:
             cv[:, i] = np.where(
                 finite_t, get_mode_cv(
                     np.where(finite_t, self._temperatures, 10000),
                     f * THzToEv), 0)
     return cv