def test1(self): "mccomponents.sample.phonon.multiphonon.computeAnESet" from dos import loadDOS dos = loadDOS() E = dos.energy dE = E[1] - E[0] g = dos.I # expand E a bit E = numpy.arange(E[0], 70, dE) g = numpy.concatenate((g, numpy.zeros(len(E)-len(g)))) g/=g.sum()*dE from mccomponents.sample.phonon.multiphonon import computeAnESet kelvin2mev = 0.0862 beta = 1./(300*kelvin2mev) E, An_set = computeAnESet(N=5, E=E, g=g, beta=beta, dE=dE) # check sum rule for An in An_set: self.assertAlmostEqual(An.sum() * dE, 1.) if interactive: import pylab for An in An_set: pylab.plot(E, An) continue pylab.show() return
def test1(self): "multiphonon.computeAnESet: UN N dos" dos = readdos() E = dos.energy dE = E[1] - E[0] g = dos.I # expand E a bit E = numpy.arange(E[0], 500, dE) g = numpy.concatenate((g, numpy.zeros(len(E) - len(g)))) g /= g.sum() * dE from mccomponents.sample.phonon.multiphonon import computeAnESet kelvin2mev = 0.0862 beta = 1. / (5 * kelvin2mev) E, An_set = computeAnESet(N=10, E=E, g=g, beta=beta, dE=dE) import pylab for An in An_set: pylab.plot(E, An) continue pylab.show() return
def test1(self): "multiphonon.computeAnESet: UN N dos" dos = readdos() E = dos.energy dE = E[1] - E[0] g = dos.I # expand E a bit E = numpy.arange(E[0], 500, dE) g = numpy.concatenate((g, numpy.zeros(len(E)-len(g)))) g/=g.sum()*dE from mccomponents.sample.phonon.multiphonon import computeAnESet kelvin2mev = 0.0862 beta = 1./(5*kelvin2mev) E, An_set = computeAnESet(N=10, E=E, g=g, beta=beta, dE=dE) import pylab for An in An_set: pylab.plot(E, An) continue pylab.show() return
def test1(self): "mccomponents.sample.phonon.multiphonon.computeAnESet" from dos import loadDOS dos = loadDOS() E = dos.energy dE = E[1] - E[0] g = dos.I # expand E a bit E = numpy.arange(E[0], 70, dE) g = numpy.concatenate((g, numpy.zeros(len(E) - len(g)))) g /= g.sum() * dE from mccomponents.sample.phonon.multiphonon import computeAnESet kelvin2mev = 0.0862 beta = 1. / (300 * kelvin2mev) E, An_set = computeAnESet(N=5, E=E, g=g, beta=beta, dE=dE) if interactive: import pylab for An in An_set: pylab.plot(E, An) continue pylab.show() return