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.
28 lines
1.0 KiB
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28 lines
1.0 KiB
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Dynamical mean-field theory on a Bethe lattice
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----------------------------------------------
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`Requires TRIQS and the application cthyb_matrix`
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In the case of Bethe lattice the dynamical mean-field theory (DMFT) self-consistency condition takes a particularly simple form
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.. math::
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G^{-1}_{0,\sigma} (i \omega_n) = i \omega_n + \mu - t^2 G_{\sigma} (i \omega_n).
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Hence, from a strictly technical point of view, in this case the DMFT cycle can be implemented by modifying
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the previous single-impurity example to the case of a bath with semi-circular density of states and adding a python loop to update :math:`G_0` as function of :math:`G`.
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Here is a complete program doing this plain-vanilla DMFT on a half-filled one-band Bethe lattice:
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.. literalinclude:: ./dmft.py
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A general introduction to DMFT calculations with TRIQS can be found :ref:`here <dmftloop>`.
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Chapter :ref:`Wien2TRIQS <Wien2k>` discusses the TRIQS implementation for DMFT calculations of real materials and the interface between TRIQS and the Wien2k band structure code.
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