Beispiel #1
0
    def set_total_DOS(self,
                      sigma=None,
                      omega_min=None,
                      omega_max=None,
                      omega_pitch=None,
                      tetrahedron_method=False):

        if self._mesh == None:
            print "set_mesh has to be done before set_thermal_properties"
            sys.exit(1)

        total_dos = TotalDos(self._mesh,
                             sigma=sigma,
                             tetrahedron_method=tetrahedron_method)
        total_dos.set_draw_area(omega_min, omega_max, omega_pitch)
        total_dos.calculate()
        self._total_dos = total_dos
Beispiel #2
0
    def set_total_DOS( self,
                       sigma=None,
                       omega_min=None,
                       omega_max=None,
                       omega_pitch=None ):

        if self.__mesh==None:
            print "set_mesh has to be done before set_thermal_properties"
            sys.exit(1)

        total_dos = TotalDos( self.__mesh.get_eigenvalues(),
                              self.__mesh.get_weights(),
                              factor=self.factor,
                              sigma=sigma )
        total_dos.set_draw_area( omega_min,
                                 omega_max,
                                 omega_pitch )
        total_dos.calculate()
        self.__total_dos = total_dos
Beispiel #3
0
    def set_total_DOS(self,
                      sigma=None,
                      omega_min=None,
                      omega_max=None,
                      omega_pitch=None,
                      tetrahedron_method=False):

        if self._mesh==None:
            print "set_mesh has to be done before set_thermal_properties"
            sys.exit(1)

        total_dos = TotalDos(self._mesh,
                             sigma=sigma,
                             tetrahedron_method=tetrahedron_method)
        total_dos.set_draw_area(omega_min,
                                omega_max,
                                omega_pitch)
        total_dos.calculate()
        self._total_dos = total_dos