solid-dmft 3.1.1

solid_dmft: a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library

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This program allows to perform DFT+DMFT one-shot and charge self-consistent (CSC) calculations from h5 archives or VASP/Quantum Espresso input files for multiband systems using the TRIQS software library, and the DFT code interface TRIQS/DFTTools. solid_dmft takes advantage of various impurity solvers available in TRIQS. Postprocessing scripts are available to perform analytic continuation and calculate spectral functions.

To learn how to use solid_dmft, take a look at the online documentation.

Installation

You can install the latest solid_dmft release simply via pip (PyPi):

pip install solid_dmft

However, please make sure that you have a valid TRIQS and TRIQS/DFTTools installation matching the version of solid_dmft. Furthermore, you need at least one of the supported DMFT impurity solvers installed to use solid_dmft.

A more thorough installation can be performed manually via cmake, which will also check if you have a working and matching TRIQS installation.

Please check our online documentation for more detailed installation instructions.

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Copyright (C) 2018-2020, ETH Zurich Copyright (C) 2021, The Simons Foundation authors: A. Hampel, S. Beck, M. Merkel, and A. Carta (see LICENSE.txt for details)

If you are using this code for your research, please cite it with this bib file.