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 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