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Deep neural networks for density functional theory Hamiltonian.
Created
2022-05-13
68 commits to main branch, last one 3 months ago
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
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
Extended DeepH (xDeepH) method for magnetic materials.
Created
2023-02-23
4 commits to main branch, last one about a year ago