Exact Diagonalization for Quantum Impurity problems

A serial/parallel Lanczos based method for the solution of single-site Quantum Impurity problems, with a special application as Dynamical Mean-Field Theory solver.

This library provides a simple, yet generic, interface to the solution of single-site, multi-orbital quantum impurity models with a finite, discrete electronic bath. The solution is obtained in either for normal, superconducting (s-wave) or Sz-non-conserving (e.g. with Spin-Orbit Coupling or in-plane magnetization) phases. The code works at zero and low temperatures.

Dependencies

The code is based on:

• SciFortran https://github.com/aamaricci/SciFortran

• MPI

Installation

Installation is available using CMake. In the current v0.0.1 API are only provided in Fortran.

Clone the repo:

git clone https://github.com/aamaricci/lib_dmft_ed scifor

And from the repository directory (cd lib_dmft_ed) make a standard out-of-source CMake compilation:

mkdir build cd build cmake ..
make
make install
make post-install

Please follow the instructions on the screen to complete installation on your environment.
The library can be loaded using one of the following, automatically generated, files :

• pkg-config file in ~/.pkg-config.d/dmft_ed.pc
• environment module file ~/.modules.d/dmft_ed/<PLAT>
• homebrew bash script <PREFIX>/bin/configvars.sh

The CMake compilation can be controlled using the following additional variables, default values between < >:

• -DPREFIX=prefix directory <~/opt/dmft_ed/VERSION/PLAT/[GIT_BRANCH]>

• -DUSE_MPI=<yes>/no

• -DVERBOSE=yes/<no>

• -DBUILD_TYPE=<RELEASE>/TESTING/DEBUG

For any information contact the author as:
adriano DOT amaricci @ gmail DOT com

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LICENSE
Copyright 2020- (C) Adriano Amaricci, Lorenzo Crippa, Alberto Scazzola, Gabriele Bellomia, Samuele Giuli, Giacomo Mazza, Francesco Petocchi, Luca de Medici and Massimo Capone.

The software is provided with no license, as such it is protected by copyright. The software is provided as it is and can be read and copied, in agreement with the Terms of Service of GITHUB. Use of the code is constrained to author agreement.

This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.