mirror of
https://github.com/triqs/dft_tools
synced 2024-11-01 03:33:50 +01:00
25 lines
1.0 KiB
ReStructuredText
25 lines
1.0 KiB
ReStructuredText
|
|
||
|
|
Tour 4: Dynamical Mean Field Theory on a Bethe lattice
|
||
|
|
------------------------------------------------------
|
||
|
|
|
||
|
|
In the case of Bethe lattice the dynamical mean-field theory (DMFT) self-consistency condition takes a particularly simple form
|
||
|
|
|
||
|
|
.. math::
|
||
|
|
|
||
|
|
G^{-1}_{0,\sigma} (i \omega_n) = i \omega_n + \mu - t^2 G_{\sigma} (i \omega_n).
|
||
|
|
|
||
|
|
|
||
|
|
Hence, from a strictly technical point of view, in this case DMFT cycle can be implemented by modifying
|
||
|
|
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`.
|
||
|
|
|
||
|
|
Here is a complete program doing this plain vanilla DMFT on a half-filled one-band Bethe lattice:
|
||
|
|
|
||
|
|
|
||
|
|
.. literalinclude:: ../solvers/dmft/single_site_bethe.py
|
||
|
|
|
||
|
|
|
||
|
|
A general introduction to DMFT calculations with TRIQS can be found :ref:`here <dmftloop>`
|
||
|
|
|
||
|
|
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.
|
||
|
|
|