def test3(self):
     "mccomponents.sample.phonon.multiphonon.sqe"
     from dos import loadDOS
     dos = loadDOS()
     assert dos.__class__.__name__ == 'Histogram', "%s is not a histogram" % (dos,)
     E = dos.energy
     g = dos.I
     from mccomponents.sample.phonon.multiphonon import sqe
     Q, E, S = sqe(E,g, N=4)
     saveSQE(Q,E,S, 'S_2..5')
     return
Beispiel #2
0
 def test3(self):
     "mccomponents.sample.phonon.multiphonon.sqe"
     from dos import loadDOS
     dos = loadDOS()
     assert dos.__class__.__name__ == 'Histogram', "%s is not a histogram" % (
         dos, )
     E = dos.energy
     g = dos.I
     from mccomponents.sample.phonon.multiphonon import sqe
     Q, E, S = sqe(E, g, N=4)
     saveSQE(Q, E, S, 'S_2..5')
     return
 def test2(self):
     "multiphonon.sqe: UN N dos"
     dos = readdos()
     E = dos.energy
     dE = E[1] - E[0]
     g = dos.I
     #
     from mccomponents.sample.phonon.multiphonon import sqe
     q, e, i = sqe(E, g, T=5, M=14, N=7, Qmax=45.)
     from histogram import plot, histogram
     axes = [('Q', q, 'angstrom**-1'), ('E', e, 'meV')]
     iqe = histogram('iqe', axes, i)
     plot(iqe)
     return
 def test2(self):
     "multiphonon.sqe: UN N dos"
     dos = readdos()
     E = dos.energy
     dE = E[1] - E[0]
     g = dos.I
     #
     from mccomponents.sample.phonon.multiphonon import sqe
     q,e,i = sqe(E, g, T=5, M=14, N=7, Qmax=45.)
     from histogram import plot, histogram
     axes = [('Q', q, 'angstrom**-1'), ('E', e, 'meV')]
     iqe = histogram('iqe', axes, i)
     plot(iqe)
     return