Alternatives and similar repositories for ONCVPseudoPack

Users that are interested in ONCVPseudoPack are comparing it to the libraries listed below

• pipidog / DFTtoolbox

  View on GitHub
  A toolbox for quickly build inputs and analyze results of DFT codes
  ☆43Aug 23, 2023Updated 2 years ago
• hungpham2017 / pDMET

  View on GitHub
  Density matrix embedding theory for periodic systems
  ☆18Dec 3, 2021Updated 4 years ago
• GitGreg228 / a2f

  View on GitHub
  ☆15Jun 13, 2023Updated 2 years ago
• arpank-2380 / PyEPFD

  View on GitHub
  Python library for computing electron-phonon renormalizations from finite displacements
  ☆11Jan 6, 2025Updated last year
• EACcodes / VASPEmbedding

  View on GitHub
  Embedding module for VASP and tools for its use.
  ☆10Feb 20, 2025Updated 11 months ago
• cc4s / cc4s

  View on GitHub
  Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s
  ☆24Nov 7, 2025Updated 3 months ago
• pyscf / dftd3

  View on GitHub
  DFT-D3 interface
  ☆12Apr 3, 2023Updated 2 years ago
• jeanwsr / pyNOF

  View on GitHub
  Natural-orbital Functional based on PySCF
  ☆10Aug 27, 2024Updated last year
• AdityaRoy-1996 / Projected-Bands-in-Quantum-Espresso

  View on GitHub
  Projected Electronic Bands in Quantum Espresso
  ☆15Oct 21, 2025Updated 3 months ago
• romankempt / aimstools

  View on GitHub
  Personal collection of scripts to handle FHI-aims calculations.
  ☆11May 26, 2024Updated last year
• hema-ted / pyzfs

  View on GitHub
  A python package to compute zero-field-splitting tensors for molecules and spin quantum bits in semiconductors.
  ☆14Mar 30, 2020Updated 5 years ago
• PHOTOX / ABIN

  View on GitHub
  Multipurpose ab initio MD program.
  ☆12Jan 1, 2026Updated last month
• zhangzeyingvv / MagneticTB

  View on GitHub
  A package for tight-binding model of magnetic and non-magnetic materials
  ☆54Dec 11, 2025Updated 2 months ago
• cp-paw / cp-paw

  View on GitHub
  Main repository for the CP-PAW code
  ☆11Nov 4, 2025Updated 3 months ago
• YiHeXu517 / Kylin-V

  View on GitHub
  TD-DMRG and VHCI package
  ☆11Jul 24, 2025Updated 6 months ago
• pyscf / dmrgscf

  View on GitHub
  DMRG and DMRGSCF
  ☆15Mar 8, 2024Updated last year
• aoleynichenko / minichem

  View on GitHub
  A very simple quantum chemistry program
  ☆10Jan 4, 2019Updated 7 years ago
• hongzhouye / ccgto

  View on GitHub
  Correlation consistent Gaussian basis sets for solids
  ☆25May 31, 2025Updated 8 months ago
• Warlocat / x2camf

  View on GitHub
  SOC integrals generator with atomic mean field approximation
  ☆10Jul 11, 2025Updated 7 months ago
• USCCACS / QXMD

  View on GitHub
  QXMD: Non-adiabatic Quantum Molecular Dynamics Simulation Engine
  ☆14Jun 5, 2024Updated last year
• ttadano / alamode_tutorial

  View on GitHub
  Tutorial files for alamode
  ☆13Aug 6, 2024Updated last year
• j-iwata / RSDFT

  View on GitHub
  ☆13Feb 14, 2025Updated last year
• AbinitioDGA / ADGA

  View on GitHub
  Abinitio Dynamical Vertex Approximation
  ☆15Dec 17, 2019Updated 6 years ago
• Sassafrass6 / PAOFLOW

  View on GitHub
  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
• iDEA-org / iDEA

  View on GitHub
  interacting Dynamic Electrons Approach
  ☆28Nov 11, 2025Updated 3 months ago
• PatrizioGraziosi / ELECTRA

  View on GitHub
  Electron Transport (ELECTRA), open source code from the "GENESIS" project
  ☆12Dec 3, 2025Updated 2 months ago
• ru-ccmt / EDMFTF

  View on GitHub
  Haule's Repository for combination of Density Functional Theory and Embedded Dynamical Mean Field Theory implementation (Python 2.7 vers…
  ☆15Apr 1, 2024Updated last year
• MOLFDIR / MOLFDIR

  View on GitHub
  Program for Molecular Fock Dirac calculations
  ☆12Apr 16, 2020Updated 5 years ago
• rohkeaID / elk-w90-improved

  View on GitHub
  An interface for ELK-Wannier90 calculations
  ☆16Oct 13, 2020Updated 5 years ago
• ifilot / den2obj

  View on GitHub
  Generate isosurface from density data
  ☆14May 11, 2025Updated 9 months ago
• ebylaska / PWDFT

  View on GitHub
  Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software
  ☆14Feb 6, 2026Updated last week
• lcmd-epfl / Q-stack

  View on GitHub
  Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)
  ☆18Updated this week
• pipidog / ONCVPSP

  View on GitHub
  Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
  ☆90Jan 21, 2020Updated 6 years ago
• caizefeng / deltaspin

  View on GitHub
  A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP
  ☆34Nov 10, 2024Updated last year
• kaifaluo / note-topo-band

  View on GitHub
  Demonstrate basic but typical physical properties of symmetry-protected non-trivial states in single-particle or mean-field level.
  ☆14Mar 11, 2021Updated 4 years ago
• cndaqiang / ONCVPSP_LDA

  View on GitHub
  Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
  ☆14Dec 15, 2025Updated 2 months ago
• FLOSIC / PublicRelease_2020

  View on GitHub
  FLOSIC code is used for performing self-interaction corrected (SIC) density functional approximation calculations. Fermi Löwdin orbital i…
  ☆17Sep 11, 2025Updated 5 months ago
• TRIQS / solid_dmft

  View on GitHub
  solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.
  ☆39Dec 15, 2025Updated 2 months ago
• openrsp / openrsp

  View on GitHub
  OpenRSP: open-ended response theory.
  ☆16Aug 16, 2020Updated 5 years ago