Python get_dynamical_matrix 예제들

예제 #1

파일: joint_dos.py 프로젝트: materialsvirtuallab/phonopy

 def _set_dynamical_matrix(self):
     self._dm = get_dynamical_matrix(
         self._fc2,
         self._supercell,
         self._primitive,
         nac_params=self._nac_params,
         frequency_scale_factor=self._frequency_scale_factor,
         symprec=self._symprec)

예제 #2

파일: joint_dos.py 프로젝트: FermiSea/phonopy

 def _set_dynamical_matrix(self):
     self._dm = get_dynamical_matrix(
         self._fc2,
         self._supercell,
         self._primitive,
         nac_params=self._nac_params,
         frequency_scale_factor=self._frequency_scale_factor,
         symprec=self._symprec)

예제 #3

파일: isotope.py 프로젝트: shanghui/phonopy

 def set_dynamical_matrix(
     self, fc2, supercell, primitive, nac_params=None, frequency_scale_factor=None, decimals=None
 ):
     self._primitive = primitive
     self._dm = get_dynamical_matrix(
         fc2,
         supercell,
         primitive,
         nac_params=nac_params,
         frequency_scale_factor=frequency_scale_factor,
         decimals=decimals,
         symprec=self._symprec,
     )

예제 #4

 def set_dynamical_matrix(self,
                          fc2,
                          supercell,
                          primitive,
                          nac_params=None,
                          frequency_scale_factor=None,
                          decimals=None):
     self._dm = get_dynamical_matrix(
         fc2,
         supercell,
         primitive,
         nac_params=nac_params,
         frequency_scale_factor=frequency_scale_factor,
         decimals=decimals,
         symprec=self._symprec)