TRIQS/triqs_modest 3.3.0
Brillouin zone summation
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Modules | |
Analyze Green's functions | |
Methods to analyze the degenerate blocks of a Green's function and use those blocks to symmetrize the Green's function object. | |
Double Counting | |
The implementation of the double counting correction within DFT+DMFT. We abstract phenomenological term into an additional "solver" that takes as input a Green's function and returns the double counting correction to the self-energy and/or the doube counting correction to the total energy. This solver is useful for cases when the double counting can not be absorbed into the chemical potential (e.g., charge self-consistent DFT+DMFT d-p models, etc.). | |
File I/O | |
The checkpoint object allows users to seamlessly save their results within their DMFT calculation to an organized HDF5 file. | |
Root finders | |
Generic root finder methods for finding the roots of a scalar function \(f(x)\). | |