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
