Collection of ONCVPSP pseudopotentials for density-functional theory calculations
☆21Sep 6, 2021Updated 5 years ago
Alternatives and similar repositories for ONCVPseudoPack
Users that are interested in ONCVPseudoPack are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆14Jun 18, 2026Updated 3 months ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆44Aug 23, 2023Updated 3 years ago
- Electron Transport (ELECTRA), open source code from the "GENESIS" project☆13Dec 3, 2025Updated 10 months ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆14Dec 15, 2025Updated 9 months ago
- BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA☆19Mar 7, 2021Updated 5 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆96Jan 21, 2020Updated 6 years ago
- ☆16Jun 13, 2023Updated 3 years ago
- Density matrix embedding theory for periodic systems☆19Dec 3, 2021Updated 4 years ago
- An interface for ELK-Wannier90 calculations☆16Oct 13, 2020Updated 5 years ago
- Fermi surface viewer providing multiple representation schemes☆27Apr 19, 2026Updated 5 months ago
- This JSON schema defines how to exchange material sampling test results across supply chains fullfilling the VDA 231-301 recommendation.☆18Updated this week
- LibRPA is a library offering access to physical properties computed using many-body perturbation theory.☆21Updated this week
- Computes the electronic band structure of bulk ZB semiconductor with k.p models WITH STRAIN☆17Apr 1, 2021Updated 5 years ago
- Demonstrate basic but typical physical properties of symmetry-protected non-trivial states in single-particle or mean-field level.☆14Mar 11, 2021Updated 5 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆26Nov 7, 2025Updated 11 months ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Jan 26, 2024Updated 2 years ago
- Predict materials properties using only the composition information!☆18Jun 4, 2025Updated last year
- A package for quickly constructing k·p models of magnetic and non-magnetic crystals☆20Aug 25, 2026Updated last month
- A tool for calculating the general form of a k.p Hamiltonian with a given symmetry.☆23May 8, 2023Updated 3 years ago
- TD-DMRG and VHCI package☆12Jul 24, 2025Updated last year
- Embedding module for VASP and tools for its use.☆11Jul 1, 2026Updated 3 months ago
- Set of Kohn-Sham DFT inputs (CASTEP format) for which the SCF iterations are difficult to converge☆13Aug 14, 2019Updated 7 years ago
- SOC integrals generator with atomic mean field approximation☆11Apr 26, 2026Updated 5 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- DFT-D3 interface☆12Apr 3, 2023Updated 3 years ago
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Sep 10, 2025Updated last year
- ☆14Jan 29, 2018Updated 8 years ago
- Main repository for the CP-PAW code☆14Updated this week
- Natural-orbital Functional based on PySCF☆11Aug 27, 2024Updated 2 years ago
- A package for tight-binding model of magnetic and non-magnetic materials☆66Sep 7, 2026Updated last month
- Benchmark calculations with Quantum Espresso☆19Sep 25, 2024Updated 2 years ago
- interacting Dynamic Electrons Approach☆31Sep 9, 2026Updated last month
- Symmetry analysis and symmetrize in Wannier orbitals☆45Apr 26, 2024Updated 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 library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year
- DMRG and DMRGSCF☆14Mar 8, 2024Updated 2 years ago
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated last year
- Equilibrium ED solver for finite fermionic models that can compute Keldysh Green's functions☆15Jun 4, 2026Updated 4 months ago
- Transition Dipole Moments from VASP WAVECAR☆25Oct 2, 2022Updated 4 years ago
- Automate the discovery of stable 2D materials stacked on substrates (either another 2d or substrate surface)! Compute the properties of t…☆14Apr 2, 2026Updated 6 months ago
- ☆18Sep 24, 2026Updated 2 weeks ago