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Deeph Pack ⭐ 161

Deep neural networks for density functional theory Hamiltonian.

Espresso ⭐ 77

Notes and tutorials on Density Functional Theory calculation using Quantum Espresso.

Disorder ⭐ 36

A code for generating irreducible site-occupancy configurations

The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).

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.

Extended DeepH (xDeepH) method for magnetic materials.

A open-source program for computing the first-order resonance Raman spectroscopy based on Quantum ESPRESSO

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