#

kohn-sham

Here are 2 public repositories matching this topic...

JuDFTteam / aiida-fleur

AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calculations.

workflow band-structure density-functional-theory magnetism aiida ab-initio high-throughput electronic-structure plane-wave kohn-sham all-electron forschungszentrum-juelich spintronics condensed-matter-physics full-potential computational-materials-science judft

Updated Nov 8, 2024
Python

pwborthwick / kspy-uks

Spin polarized Kohn-Sham

kohn-sham spin-polarized gga

Updated Oct 27, 2022
Python

Improve this page

Add a description, image, and links to the kohn-sham topic page so that developers can more easily learn about it.

Curate this topic

Add this topic to your repo

To associate your repository with the kohn-sham topic, visit your repo's landing page and select "manage topics."