This repository accompanies the paper "Surface lattice Green’s functions for high-entropy alloys" by Wolfram Nöhring, Jan Grießer, Patrick Dondl and Lars Pastewka.
- Nöhring, Wolfram Georg, et al. "Surface lattice Green's functions for high-entropy alloys." (2021). https://arxiv.org/abs/2101.12519
To reproduce the results using the given implementations you need the following packages
- numpy - http://www.numpy.org/
- scipy - http://www.scipy.org/
- PETSc - https://petsc.org/
- Matscipy - https://github.com/libAtoms/matscipy
In the folder "singularity" we provide a .def file for the creation of a Sinuglarity container with all required libaries.