g('set yrange [0:%s]' % max(ys))
g('set size 0.6,0.6')
g.xlabel('E (meV)')
g.ylabel('A (1/meV)')
g.plot(
Gnuplot.Data(xs, ref, **{'with': 'lines lt 2 lc rgbcolor "blue" lw 2'}),
Gnuplot.Data(xs, ys, **{'with': 'lines lt 1 lc rgbcolor "red" lw 2'})
)
g.hardcopy(name, color=1, terminal='postscript')
print("File printed to %s" % name)
kelvin = 8.6173423e-5 * 1000 # 1K in meV
n = 1
for k in (0.6, -0.3):
xs = linspace(-0.6, k, 2000)
energies = harmonic_energies(hf=0.5)
T = 5 * 0.5
print("calc %s" % n); n += 1
t0 = datetime.utcnow()
calc = {
'leads': [
invibro.Lead(0.0, T, 0.025, linear_coupling(0.5), 50000.0),
invibro.Lead(0.0, T, 0.025, linear_coupling(0.5), 50000.0)
],
'e_level': 0.0,
'ph_energy': energies,
'ph_state': thermal_dist(T, energies)
}
ref = lorentzian(xs, calc)
ys = invibro.density_of_states(xs, calc)
render(xs, ys, ref, '/tmp/falloff-highT_%s.ps' % k)
g = L ** 2
def sgn(x):
return -1 if x < 0 else 1
def matrix(m, n, L):
if m > n:
return matrix(n, m, -L)
else:
return (exp(-g) * g ** (n - m) * fact(m)/fact(n)) ** 0.5 * \
laguerre(m, n - m, g) * sgn(L) ** (n - m)
return lambda m, n: matrix(m, n, L)
w0 = 0.02 # eV
T = 0.0258520269 # 300K in eV
invibro.dim=8
energies = harmonic_energies(0.02)
q = invibro.mat_from_fn(displace(1.0))
qbar = q.T.conjugate()
rho_0 = invibro.mat_from_fn(thermal_dist(T, energies))
rho_0 /= rho_0.trace()
rho_1 = qbar.dot(rho_0).dot(q)
from datetime import datetime
import Gnuplot
def plot(xs, ys, name, first=False):
g = Gnuplot.Gnuplot()
g('set xrange [1.88:2.08]')
g('set yrange [0:200]')
g('set xtics 1.92,0.04,2.04')