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dft_tools/doc/tutorials/python/ipt_dmft.py
Michel Ferrero 28140f14fb Work on documentation
Mainly on the python part. I had a quick browse through to check if
the scripts were still working.
2013-09-17 14:55:55 +02:00

44 lines
1.2 KiB
Python

from pytriqs.gf.local import *
from pytriqs.plot.mpl_interface import *
from numpy import *
import os
# Parameters
t = 0.5
beta = 40
n_loops = 20
dos_files = []
# Main loop over U
for U in arange(0.0, 4.05, 0.10):
# Construct the IPT solver and set initial G
S = IPTSolver(U = U, beta = beta)
S.g <<= SemiCircular(2*t)
# Do the DMFT loop
for i in range(n_loops):
S.g0 <<= inverse( iOmega_n - t**2 * S.g )
S.solve()
# Get the real-axis with Pade approximants
greal = GfReFreq(indices = [1], window = (-4.0,4.0), n_points = 400)
greal.set_from_pade(S.g, 201, 0.0)
# Generate the plot
fig = plt.figure(figsize=(6,6))
oplot(greal, lw=3, RI='S', figure = fig, label = "DOS")
plt.xlim(-4,4)
plt.ylim(0,0.7)
plt.ylabel("$A(\omega)$")
plt.title("Local DOS, IPT, Bethe lattice, $\\beta=%.2f$, $U=%.2f$"%(beta,U))
# Save the plot in a file
fig.savefig("dos_%s"%U, format="png", transparent=False)
dos_files.append("dos_%s"%U)
plt.close(fig)
# Create an animated GIF (you need to have 'convert' installed)
print "Creating an animated dos plot..."
os.system("convert -delay 25 -loop 0 %s dos.gif"%(" ".join(dos_files)))