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Hybridization function from external file in CT-HYB #114

Closed augustinsky closed 11 years ago

augustinsky commented 11 years ago

Hi All, is there a simple way how to initialize the CT-HYB solver with a hybridization function stored i a text file (either in $tau$ or Matsubara frequency)? And what is the required format?

tayral commented 11 years ago

Hi, You are supposed to initialize the CT-HYB solver with the Weiss field defined from the hybridization function \Delta as:

G0(i\omega_n)^{-1} = i \omegan +\mu - -\Delta(i\omegan)

The chemical potential will be extracted automatically by the solver from the tails of the G0 you have provided.

To have the tails computed automatically for you, you should compute G0 from an input \Sigma (with the right tails), e.g

S.G0 = inverse( inverse( HT(mu = mu, sigma = S.Sigma ) + S.Sigma)

where HT is a Hilbert transform object containing the adequate density object, for instance. (See the documentation for more detailed explanations)

If, however, you really want to initialize the solver with a hybridization function, it is up to you to write your own script for loading the solver (by slightly modifying the file solver.py in pytriqs/solvers/ctqmc_hyb.) and initializing the hybridization function (which you can fill "by hand" by filling S.Delta_tau._data, which is a numpy array with the data on the imaginary time axis). In this case, do not forget to initialize the chemical potential as well.

Cheers, Thomas

Le 01/03/13 22:18, augustinsky a écrit :

Hi All, is there a simple way how to initialize the CT-HYB solver with a hybridization function stored i a text file (either in $tau$ or Matsubara frequency)? And what is the required format?

— Reply to this email directly or view it on GitHub https://github.com/TRIQS/TRIQS/issues/114.

tayral commented 11 years ago

no comment for 2 months, closing