Alternatives and similar repositories for M-SPARC

Users that are interested in M-SPARC are comparing it to the libraries listed below

• Sassafrass6 / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)
  ☆24Updated last year
• SPARC-X / SPARC
  Simulation Package for Ab-initio Real-space Calculations
  ☆89Updated 2 weeks ago
• RMGDFT / rmgdft
  RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…
  ☆50Updated this week
• LLNL / TopoMS
  Topological Analysis for Molecular Systems
  ☆17Updated 6 years ago
• SPARC-X / SPMS-psps
  SPMS table of pseudopotentials
  ☆19Updated 2 years ago
• nakib / elphbolt
  A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
  ☆53Updated 2 weeks ago
• libnegf / libnegf
  ☆21Updated 4 months ago
• anharmonic / d3q
  D3Q + thermal2
  ☆27Updated last week
• EACcodes / PROFESS
  PRinceton Orbital-Free Electronic Structure Software
  ☆30Updated 5 years ago
• dceresoli / qe-gipaw
  QE-GIPAW for Quantum-Espresso (official repository)
  ☆36Updated 2 weeks ago
• dceresoli / ce-tddft
  Real-time TDDFT for Quantum-Espresso
  ☆24Updated 2 years ago
• MikeHeiber / KMC_Lattice
  A lightweight, object-oriented C++ library that contains a general framework for creating custom kinetic Monte Carlo simulation software …
  ☆21Updated 5 years ago
• aiidateam / aiida-wannier90-workflows
  A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code
  ☆20Updated 2 weeks ago
• MathWorks-Teaching-Resources / Density-Functional-Theory
  Fundamentals and Applications of Density Functional Theory with Interactive Live Scripts and Intuitive Codes
  ☆16Updated 4 months ago
• asdamle / SCDM
  Code for the Selected Columns of the Density Matrix suite of algorithms
  ☆13Updated 6 years ago
• mstsuite / MuST
  Multiple Scattering Theory code for first principles calculations
  ☆68Updated last month
• shankar1729 / jdftx
  JDFTx: software for joint density functional theory
  ☆92Updated 3 months ago
• rohskopf / modecode
  Massively parallel vibrational mode calculator.
  ☆23Updated last year
• aromanro / DFTAtom
  Density Functional Theory in real space, for atoms, LDA and LSDA
  ☆29Updated last year
• tkotani / ecalj
  The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).
  ☆33Updated last week
• west-code-development / West
  WEST code
  ☆24Updated last month
• jkitchin / dft-book-espresso
  New version of dft-book for Quantum Espresso
  ☆45Updated 5 years ago
• MineralsCloud / phq
  phq: a Fortran code to compute phonon quasiparticle properties and dispersions
  ☆14Updated 6 years ago
• jochym / abinitio-methods
  Lecture materials for: Ab initio methods in solid state physics.
  ☆22Updated 9 months ago
• pfloos / QuAcK
  QuAcK: a software for emerging quantum electronic structure methods
  ☆29Updated last week
• kayahans / qmc-dft-python
  Educational code for Density Functional Theory and Quantum Monte Carlo with Python
  ☆20Updated 6 years ago
• lanl / LATTE
  Developer repository for the LATTE code
  ☆46Updated 5 months ago
• nmardirossian / PySCF_Tutorial
  ☆30Updated 7 years ago
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆44Updated 2 months ago
• dcccc / Plane_Wave_DFT
  plane wave basis set density functional thoery code
  ☆19Updated 3 months ago