☆232Jul 31, 2020Updated 5 years ago
Alternatives and similar repositories for Quantum-Espresso-Tutorial-2019-Projects
Users that are interested in Quantum-Espresso-Tutorial-2019-Projects are comparing it to the libraries listed below
Sorting:
- ☆24Jun 24, 2019Updated 6 years ago
- Quantum Visualization Interacting Toolkit for Ab-initio Simulations☆74Updated this week
- ☆31Jul 26, 2020Updated 5 years ago
- Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.☆174Feb 15, 2026Updated 2 weeks ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆90Jan 21, 2020Updated 6 years ago
- Python scripts for plot band structure from Quantum Espresso (pwscf) bands.x output files☆21May 17, 2024Updated last year
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆19Updated this week
- Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.☆643Feb 26, 2026Updated last week
- Real-time TDDFT for Quantum-Espresso☆24Jun 22, 2023Updated 2 years ago
- BURAI, a GUI system of Quantum ESPRESSO☆72May 7, 2021Updated 4 years ago
- Python program for analyzing the output files of phonopy.☆14Sep 14, 2021Updated 4 years ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆79Aug 3, 2025Updated 7 months ago
- Python scripts to postprocess Quantum Espresso calclations.☆20Mar 21, 2020Updated 5 years ago
- Tutorials for Quantum Espresso☆26Aug 18, 2022Updated 3 years ago
- Generate isosurface from density data☆14May 11, 2025Updated 9 months ago
- New version of dft-book for Quantum Espresso☆47Mar 23, 2020Updated 5 years ago
- Radial Distribution Function(rdf) 镜像分布函数计算☆15Nov 29, 2020Updated 5 years ago
- ☆23Apr 16, 2020Updated 5 years ago
- ☆20Aug 10, 2023Updated 2 years ago
- Phonon anharmonicity analysis from molecular dynamics☆137Oct 2, 2025Updated 5 months ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆28Dec 10, 2024Updated last year
- This program calculates the main correlation functions of a material: Radial Distribution Function (J(r)), Pair Distribution Function (g(…☆21Updated this week
- Sample codes on computational solid state physics☆17Aug 15, 2020Updated 5 years ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆29Jan 21, 2021Updated 5 years ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆43Aug 23, 2023Updated 2 years ago
- An open-source C++ software for efficient nanoscale quantum transport simulations☆10Sep 21, 2019Updated 6 years ago
- Projected Electronic Bands in Quantum Espresso☆15Oct 21, 2025Updated 4 months ago
- Useful tools integrated for VASP/Wannier90 interface☆12Aug 31, 2022Updated 3 years ago
- A book on modeling materials using VASP, ase and vasp☆421Feb 11, 2026Updated 3 weeks ago
- Modeling and Crystallographic Utilities☆52May 23, 2023Updated 2 years ago
- DENSITY FUNCTIONAL THEORY EXERCISES. 本习题解答针对 DAVID S. SHOLL 的 Density functional theory: a practical introduction[1]一书。理论依据为密度泛函(DFT)理论，…☆66Aug 27, 2021Updated 4 years ago
- A Python library for electronic structure pre/post-processing☆202Jan 29, 2026Updated last month
- ase interface for Quantum Espresso☆68Feb 22, 2020Updated 6 years ago
- A repository hosting materials used during Wannier-related tutorials and schools☆45Jun 9, 2024Updated last year
- Generate random alloys and compute various properties☆66Jan 29, 2026Updated last month
- Script library mainly about chemical physics.☆25Jun 15, 2025Updated 8 months ago
- Docs and examples for Quantum-Espresso☆17May 25, 2017Updated 8 years ago
- Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆16Mar 11, 2020Updated 5 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆35Apr 19, 2024Updated last year