mirror of
https://github.com/triqs/dft_tools
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43 lines
1.9 KiB
Python
43 lines
1.9 KiB
Python
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from pytriqs.gf.local import *
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from pytriqs.operators import *
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from pytriqs.applications.impurity_solvers.cthyb_matrix import Solver
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D, V, U = 1.0, 0.2, 4.0
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e_f, Beta = -U/2.0, 50
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# The impurity solver
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S = Solver(Beta = Beta, # inverse temperature
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GFstruct = [ ('up',[1]), ('down',[1]) ], # Structure of the Green's function
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H_Local = U * N('up',1) * N('down',1), # Local Hamiltonian
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Quantum_Numbers = { # Quantum Numbers
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'Nup' : N('up',1), # (operators commuting with H_Local)
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'Ndown' : N('down',1) },
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N_Cycles = 500000, # Number of QMC cycles
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Length_Cycle = 200, # Length of one cycle
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N_Warmup_Cycles = 10000, # Warmup cycles
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N_Legendre_Coeffs = 50, # Number of Legendre coefficients
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Random_Generator_Name = 'mt19937', # Name of the random number generator
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Use_Segment_Picture = True, # Use the segment picture
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Measured_Operators = { # Operators to be averaged
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'Nimp' : N('up',1)+N('down',1) },
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Global_Moves = [ # Global move in the QMC
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(0.05, lambda (a,alpha,dag) : ( {'up':'down','down':'up'}[a],alpha,dag ) ) ],
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)
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# Initialize the non-interacting Green's function S.G0
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for spin, g0 in S.G0 :
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g0 <<= inverse( iOmega_n - e_f - V**2 * Wilson(D) )
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# Run the solver. The result will be in S.G
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S.Solve()
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# Save the results in an hdf5 file (only on the master node)
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from pytriqs.archive import HDFArchive
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import pytriqs.utility.mpi as mpi
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if mpi.is_master_node():
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Results = HDFArchive("solution.h5",'w')
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Results["G"] = S.G
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Results["Gl"] = S.G_Legendre
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Results["Nimp"] = S.Measured_Operators_Results['Nimp']
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