mirror of
https://github.com/triqs/dft_tools
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28140f14fb
Mainly on the python part. I had a quick browse through to check if the scripts were still working.
44 lines
1.2 KiB
Python
44 lines
1.2 KiB
Python
from pytriqs.gf.local import *
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from pytriqs.plot.mpl_interface import *
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from numpy import *
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import os
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# Parameters
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t = 0.5
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beta = 40
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n_loops = 20
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dos_files = []
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# Main loop over U
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for U in arange(0.0, 4.05, 0.10):
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# Construct the IPT solver and set initial G
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S = IPTSolver(U = U, beta = beta)
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S.g <<= SemiCircular(2*t)
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# Do the DMFT loop
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for i in range(n_loops):
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S.g0 <<= inverse( iOmega_n - t**2 * S.g )
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S.solve()
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# Get the real-axis with Pade approximants
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greal = GfReFreq(indices = [1], window = (-4.0,4.0), n_points = 400)
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greal.set_from_pade(S.g, 201, 0.0)
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# Generate the plot
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fig = plt.figure(figsize=(6,6))
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oplot(greal, lw=3, RI='S', figure = fig, label = "DOS")
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plt.xlim(-4,4)
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plt.ylim(0,0.7)
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plt.ylabel("$A(\omega)$")
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plt.title("Local DOS, IPT, Bethe lattice, $\\beta=%.2f$, $U=%.2f$"%(beta,U))
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# Save the plot in a file
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fig.savefig("dos_%s"%U, format="png", transparent=False)
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dos_files.append("dos_%s"%U)
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plt.close(fig)
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# Create an animated GIF (you need to have 'convert' installed)
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print "Creating an animated dos plot..."
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os.system("convert -delay 25 -loop 0 %s dos.gif"%(" ".join(dos_files)))
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