Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
☆92Jan 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.☆62Jun 4, 2026Updated last week
- The official repository of the oncvpsp code to generate optimized norm-conserving Vanderbilt pseudopotentials☆34May 14, 2026Updated 3 weeks ago
- A library of ultrasoft and PAW pseudopotentials☆103Sep 16, 2022Updated 3 years ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆107Apr 13, 2021Updated 5 years ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆44Aug 23, 2023Updated 2 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Python scripts for plot band structure from Quantum Espresso (pwscf) bands.x output files☆22May 17, 2024Updated 2 years ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆14Dec 15, 2025Updated 5 months ago
- Real-time TDDFT for Quantum-Espresso☆26Jun 22, 2023Updated 2 years ago
- Fermi surface viewer providing multiple representation schemes☆24Apr 19, 2026Updated last month
- ☆243Jul 31, 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
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆18Dec 8, 2022Updated 3 years ago
- ☆25Jun 24, 2019Updated 6 years ago
- Heavyweight plotting tools for ab initio calculations☆252Apr 9, 2026Updated 2 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆133May 26, 2026Updated 2 weeks ago
- some toolkits for VASP☆35Apr 30, 2021Updated 5 years ago
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Sep 10, 2025Updated 9 months ago
- ☆16Jun 13, 2023Updated 3 years ago
- Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.☆672May 3, 2026Updated last month
- Python framework for generating and validating pseudo potentials☆52Nov 8, 2023Updated 2 years ago
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆280Apr 27, 2026Updated last month
- ☆38Oct 8, 2019Updated 6 years ago
- Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.☆186Apr 18, 2026Updated last month
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Calculate 3rd order elastic constant.☆13Mar 23, 2025Updated last year
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆56Jan 26, 2026Updated 4 months ago
- ☆80Apr 7, 2026Updated 2 months ago
- Collective atomic modulation analysis with irreducible space-group representation☆18Jun 1, 2026Updated last week
- The Orthogonalized Linear Combination of Atomic Orbitals package.☆27May 8, 2026Updated last month
- Scripts to calculate elastic properties from a set of strained structures☆21Jul 3, 2024Updated last year
- Fix lattice component(s) during relaxation in VASP☆142Nov 27, 2025Updated 6 months ago
- Python tools for Quantum ESPRESSO☆43May 29, 2026Updated 2 weeks ago
- Collection of ONCVPSP pseudopotentials for density-functional theory calculations☆21Sep 6, 2021Updated 4 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Code to convert DFPT modes in OUTCAR files to VESTA images☆27Aug 14, 2022Updated 3 years ago
- Phonon code☆481Updated this week
- Installation steps for various programs like VASP, LAMMPS, Quantum Espresso, Siesta in parallel☆16Jul 26, 2020Updated 5 years ago
- WannierTools: An open-source software package for novel topological materials. Full documentation:☆333Jun 9, 2025Updated last year
- Electronic structure code for molecules and clusters☆37May 9, 2026Updated last month
- Ab initio simulator for thermal transport and lattice anharmonicity☆195May 29, 2026Updated 2 weeks ago
- ☆18Dec 5, 2025Updated 6 months ago