Fork of https://iffgit.fz-juelich.de/mozumder/Master_Thesis_Mozumder .

About the fork origin:

These notebooks accompany the data for mozumder's master thesis "Design of magnetic interactions in doped topological insulators", 2022-04. The data, in the version used for the master thesis submission, is now available on /Data/ias-1/wasmer/import/220412_mozumder_master-thesis.

About the fork:

This fork is about picking up the work where mozumder left off. Specifically, about ML prediction of the Jij interaction (ultimate chapter in his thesis).

What follows is the orignal repository description.

Working of kkr_combine_imps_wc , CPA calculation and ML that includes:

kkr_combine_imps_wc calculations, data and relevant plots CPA calculations, data and plot ML approach

Counting statistics and fractionalization

Single crystal diffraction data reduction - work in progress. Formerly NSXTool.

(Submodule of main) PhD project, public notes.

Counting statistics and fractionalization (notes)

a collaborative formulary for generalised hypergeometric functions

PhD project notes.

This are the Torch models from CAM originated from Giacomo Pedretti

Reusable LaTeX resources (figures, lists, tables, equations) for documents (presentations, theses, papers).

The Jülich KKR codes containing: voronoi construction, bulk crystals and interfaces, impurities, magnetic susceptibilities, Fermi surface, impurity scattering, Boltzmann transport

UNIFIT is a highly flexible program for fitting theories to experimental data.