5 results found Sort:

52
257
lgpl-3.0
6
Deep neural networks for density functional theory Hamiltonian.
Created 2022-05-13
68 commits to main branch, last one 3 months ago
46
124
unknown
1
Notes and tutorials on Density Functional Theory calculation using Quantum Espresso.
Created 2017-08-15
121 commits to main branch, last one 16 days ago
24
51
unknown
5
This repository contains example codes for the book: Quantum ESPRESSO Course for Solid‑State Physics, Jenny Stanford Publishing, New York, 372 Pages (2022) by N. T. Hung, A. R. T. Nugraha and R. Saito...
Created 2019-07-03
42 commits to master branch, last one 3 months ago
A code for generating irreducible site-occupancy configurations
Created 2020-08-29
174 commits to main branch, last one about a year ago
4
35
lgpl-3.0
3
Extended DeepH (xDeepH) method for magnetic materials.
Created 2023-02-23
4 commits to main branch, last one about a year ago