def sqe2dos(sqe, Ei):
"""Takes an instance `sqe` of class expSqe and returns `res`, an instance
of class densityOfStates, assuming that `sqe` is 1-phonon, single scattering
only. Sample shape and orientation are taken into account. This is equivalent to first
order multiple scattering correction.
"""
dos = densityOfStates(sqe)
g0 = gamma0( sqe, dos )
DW2 = debyeWallerExp(sqe,dos)
#res = nar( sqe.e*sqe.sqe*g0*(1 - np.exp(-sqe.e*sqe.beta)))[sqe.zeroInd:]
geRaw = np.zeros(len(sqe.q))
for enInd in range(len(sqe.e)):
for qInd in range(len(sqe.q)):
geRaw[enInd] += sqe.e[enInd]*sqe.sqe[qInd][enInd]*g0*(1 - \
np.exp(-sqe.e[enInd]*sqe.beta))/(H1(sqe.q[qInd], sqe.e[enInd], Ei)*DW2*np.exp(-DW2))
res = densityOfStates(dos.e, geRaw[sqe.zeroInd:], cutRange=sqe.cutRange)
return res
E = numpy.arange(floor(-maxE/dE)*dE, (ceil(maxE/dE)+1)*dE, dE)
#if e[0]==0.0: #dos contains 0 point
# E = numpy.concatenate((-1*e[::-1],e[1:]))
#else: #dos does not contain 0 point
# E = numpy.concatenate((numpy.append(-1*e[::-1],0.0),e))
Q = numpy.arange(minQ, maxQ, dQ)
fakeSqe = numpy.outer(Q,E)
sqe = expSqe.expSqe(Q,E,fakeSqe,fakeSqe,T,M,cutRange=cutRange)
e = numpy.arange(0.0, maxE+dE, dE)
dos = numpy.zeros(len(e))
if len(g) <= len(dos):
dos[:len(g)] += g
else:
dos += g[:len(dos)]
dos = densityOfStates.densityOfStates(e,dos,cutRange=cutRange)
#------------------------------------------------------------------------------
#---- Get multiphonon scattering ----------------------------------------------
ANE = multiphonon.AthroughN(sqe,dos,N)
#for i in range(len(ANE)):
# print 'ane',ANE[i]
SNQ = multiphonon.SthroughN(sqe,dos,N)
#for i in range(len(SNQ)):
# print SNQ[i]
SN = []
for i in range(len(SNQ)):
SN.append( numpy.outer(SNQ[i],ANE[i]) )
SN = numpy.array(SN)
R0 = D0.copy()
import random
for i in range(104,124):
R0[i] += 0.02*(random.random() - 0.5)
import Gnuplot
g = Gnuplot.Gnuplot()
gd = Gnuplot.Data
g('set grid')
# g.plot(gd(e0,d0,with='l lw 5'))
# g.replot(gd(e0,D0,with='l lw 5'))
# g.replot(gd(e0,R0,with='l lw 5'))
import densityOfStates
d = densityOfStates.densityOfStates(e0,d0)
D = densityOfStates.densityOfStates(e0,D0)
R = densityOfStates.densityOfStates(e0,R0)
# g.replot(gd(d.e,d.g,with='l lw 3'))
# g.replot(gd(D.e,D.g,with='l lw 3'))
# g.replot(gd(R.e,R.g,with='l lw 3'))
d = densityOfStates.densityOfStates(e0,d0,cutRange=(30,40))
D = densityOfStates.densityOfStates(e0,D0,cutRange=(32,40))
R = densityOfStates.densityOfStates(e0,R0,cutRange=(32,40))
G = densityOfStates.densityOfStates(e0,R0,cutRange=(21,21))
g.plot(gd(d.e,d.gz,with='l lw 3'))
g.replot(gd(D.e,D.gz,with='l lw 3'))
g.replot(gd(R.e,R.gz,with='l lw 3'))