Exemplo n.º 1
0
 def test3(self):
     "multiphonon.forward.phonon.sqe"
     from dos import loadDOS
     E,g = loadDOS()
     from multiphonon.forward.phonon import sqe
     Q, E, S = sqe(E,g, N=4)
     saveSQE(Q,E,S, 'S_2..5')
     return
Exemplo n.º 2
0
 def test3(self):
     "multiphonon.forward.phonon.sqe"
     from dos import loadDOS
     E, g = loadDOS()
     from multiphonon.forward.phonon import sqe
     Q, E, S = sqe(E, g, N=4)
     # saveSQE(Q,E,S, 'S_2..5')
     self._check(S,
                 hh.load(os.path.join(expected_results_dir, 'S_2..5.h5')).I)
     return
Exemplo n.º 3
0
 def test2(self):
     "multiphonon.forward.phonon.sqe: UN N dos"
     E, g= readdos()
     dE = E[1] - E[0]
     #
     from multiphonon.forward.phonon 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)
     if interactive:
         plot(iqe)
     return