Alternatives and similar repositories for pyzfs

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

• QEF / SternheimerGW
  many-body perturbation theory without empty states
  ☆12Updated 6 years ago
• hungpham2017 / pDMET
  Density matrix embedding theory for periodic systems
  ☆18Updated 3 years ago
• jbuckeridge / cplap
  CPLAP is a program designed to determine the thermodynamical stability of a material, and, if it is stable, to determine the ranges of th…
  ☆16Updated 6 years ago
• ttadano / alamode_tutorial
  Tutorial files for alamode
  ☆12Updated 10 months ago
• zhendongli2008 / qcmpodmrg
  An MPO-based DMRG code for Quantum Chemistry
  ☆12Updated 6 years ago
• aromanro / KKR
  Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation
  ☆19Updated last year
• mir-group / EPA
  Electron-phonon averaged approximation
  ☆11Updated 2 years ago
• MineralsCloud / qe-demystify
  Demystify the undocumented Quantum ESPRESSO input/output
  ☆12Updated last year
• jarvist / Julia-Phonons
  Julia codes to play with Phonons
  ☆24Updated 6 years ago
• wannier-berri / WannierBerri-tutorial
  Tutorial for Wannier2022
  ☆14Updated 3 weeks ago
• Sassafrass6 / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)
  ☆24Updated last year
• TnakaTnakaTnaka / PHNEGF
  Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory
  ☆22Updated 4 years ago
• aakunitsa / GW-approximation
  Reference implementation of GW
  ☆13Updated 5 years ago
• DMFTwDFT-project / DMFTwDFT3
  A framework to treat strongly correlated materials using beyond-DFT methods
  ☆24Updated 4 years ago
• santoshkumarradha / pysktb
  Scientific Python package for solving Slater Koster tight-binding topological hamiltonian
  ☆52Updated last year
• wangenau / eminus
  Pythonic electronic structure theory.
  ☆17Updated this week
• jochym / abinitio-methods
  Lecture materials for: Ab initio methods in solid state physics.
  ☆22Updated 5 months ago
• anharmonic / d3q
  D3Q + thermal2
  ☆26Updated last week
• CoMeT4MatSci / dftbephy
  Calculating electron-phonon couplings with DFTB.
  ☆10Updated 4 months ago
• berkelbach-group / pyrho
  a python package for reduced density matrix techniques
  ☆16Updated 4 years ago
• freude / negf
  The project represents a Python framework for computing the electron transport characteristics using the non-equilibrium Green's function…
  ☆12Updated 6 years ago
• TnakaTnakaTnaka / TEP_tools
  Python scripts to calculate thermoelectric properties by using NEGF method in OpenMX code (http://www.openmx-square.org/).
  ☆9Updated 6 years ago
• ChristopherSims / CIF2WAN
  Create wannier functions
  ☆9Updated 2 years ago
• dipc-cc / hubbard
  Python tools for mean-field Hubbard models
  ☆25Updated 2 months ago
• theochem / fanpy
  Projectively-optimized geminal and "fancyCI" wavefunctions
  ☆17Updated 2 years ago
• cc-ats / qed-tddft
  Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis
  ☆14Updated 3 weeks ago
• zhendongli2008 / zmpo_dmrg
  ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian
  ☆11Updated 5 years ago
• tkotani / ecalj
  The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).
  ☆30Updated 2 weeks ago
• ac-dias / wantibexos
  WanTiBEXOS code repository
  ☆12Updated last week
• romankempt / aimstools
  Personal collection of scripts to handle FHI-aims calculations.
  ☆11Updated last year