Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
☆96Jan 21, 2020Updated 6 years ago
Alternatives and similar repositories for ONCVPSP
Users that are interested in ONCVPSP are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆63Sep 24, 2026Updated 2 weeks ago
- The official repository of the oncvpsp code to generate optimized norm-conserving Vanderbilt pseudopotentials☆40May 14, 2026Updated 4 months ago
- A library of ultrasoft and PAW pseudopotentials☆106Sep 16, 2022Updated 4 years ago
- ☆16Jun 13, 2023Updated 3 years ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆14Dec 15, 2025Updated 9 months ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- A toolbox for quickly build inputs and analyze results of DFT codes☆44Aug 23, 2023Updated 3 years ago
- Python scripts for plot band structure from Quantum Espresso (pwscf) bands.x output files☆22May 17, 2024Updated 2 years ago
- Real-time TDDFT for Quantum-Espresso☆26Aug 31, 2026Updated last month
- ☆251Jul 31, 2020Updated 6 years ago
- ☆25Jun 24, 2019Updated 7 years ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆108Apr 13, 2021Updated 5 years ago
- An interface for ELK-Wannier90 calculations☆16Oct 13, 2020Updated 5 years ago
- A tool for calculating the general form of a k.p Hamiltonian with a given symmetry.☆23May 8, 2023Updated 3 years ago
- Heavyweight plotting tools for ab initio calculations☆260Sep 3, 2026Updated last month
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆18Dec 8, 2022Updated 3 years ago
- The Orthogonalized Linear Combination of Atomic Orbitals package.☆27May 8, 2026Updated 5 months ago
- some toolkits for VASP☆36Apr 30, 2021Updated 5 years ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆137May 26, 2026Updated 4 months ago
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Sep 10, 2025Updated last year
- Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.☆700Jul 9, 2026Updated 3 months ago
- Python framework for generating and validating pseudo potentials☆54Nov 8, 2023Updated 2 years ago
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆293Apr 27, 2026Updated 5 months ago
- Scripts to calculate elastic properties from a set of strained structures☆22Jul 3, 2024Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆40Oct 8, 2019Updated 7 years ago
- Collection of ONCVPSP pseudopotentials for density-functional theory calculations☆21Sep 6, 2021Updated 5 years ago
- ☆83Oct 2, 2026Updated last week
- Calculate 3rd order elastic constant.☆13Mar 23, 2025Updated last year
- Installation steps for various programs like VASP, LAMMPS, Quantum Espresso, Siesta in parallel☆16Jul 26, 2020Updated 6 years ago
- Code to convert DFPT modes in OUTCAR files to VESTA images☆27Aug 14, 2022Updated 4 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆56Jan 26, 2026Updated 8 months ago
- Fix lattice component(s) during relaxation in VASP☆148Nov 27, 2025Updated 10 months ago
- Collective atomic modulation analysis with irreducible space-group representation☆18Oct 6, 2026Updated last week
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Python tools for Quantum ESPRESSO☆43May 29, 2026Updated 4 months ago
- Fermi surface viewer providing multiple representation schemes☆27Apr 19, 2026Updated 5 months ago
- A phonon irreducible representations calculator☆24Apr 11, 2024Updated 2 years ago
- Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.☆199Sep 5, 2026Updated last month
- Phonon code☆502Updated this week
- WannierTools: An open-source software package for novel topological materials. Full documentation:☆340Jun 9, 2025Updated last year
- ☆18Updated this week