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aiida-kkr

Code containing the AiiDA-KKR plugins and some workflows for the juDFT KKR codes.

c1axsrefl3d

chinook

Python module for simulating matrix-elements in ARPES using a tight-binding model

crispy

Core-Level Spectroscopy Simulations in Python

dcore

DMFT software for CORrelated Electrons

gw-approximation

Reference implementation of GW

hea-ml

Machine Learning for High Entropy Alloy

janko

This is just hello world

kinetic-monte-carlo-code

Kinetic-Monte-Carlo code implemented in Python to investigate the hydrogen diffusion in Fe-Mn-Al alloys.

kinetic-monte-carlo-model

This is a simple Kinetic-Monte-Carlo Model that simulates the growth dynamics during Pulsed Laser Deposition of ternary perovskite oxides ABO3 with an thermodynamically unstable B-site surface termination

kineticmontecarlo

Simulation of Diffusion of Al in Cu

kmc-dichalcogen

kinetic monte carlo

kmcos

Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.

kproj

KPROJ: A Band Unfolding Program

lg4x

A graphical user interface of Python lmfit package was developed for standard X-ray photoemission spectroscopy (XPS) curve fitting analysis. The interface streamlines the fitting procedures for validating results and their consistency.

mpes-nexus

Repository dedicated to community-wide drafting of a data/metadata schema for ARPES experiments.

must

Multiple Scattering Theory code for first principles calculations

pynxtools

sprkkr_tools

Collection of usefull and unusefull scripts and tools for SPR-KKR DFT package