Alternatives and similar repositories for qe-tools

Users that are interested in qe-tools are comparing it to the libraries listed below

• LLNL / csld
  Compressive sensing lattice dynamics
  ☆31Updated 8 months ago
• rubel75 / fold2Bloch-VASP
  Unfolding the band structure of a supercell obtained with VASP
  ☆25Updated 2 years ago
• hungpham2017 / pyWannier90
  A Wannier90 python interface for VASP and PySCF
  ☆40Updated 3 weeks ago
• aiidateam / aiida-wannier90-workflows
  A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code
  ☆20Updated last month
• cmdlab / pyGWBSE
  python workflow for GW-BSE calculation
  ☆31Updated 2 years ago
• munrojm / DiSPy
  Utility for applying the distortion symmetry method.
  ☆28Updated last year
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆38Updated last year
• marcobn / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)
  ☆43Updated last week
• kylebystrom / pawpyseed
  Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
  ☆33Updated 4 years ago
• WMD-group / CarrierCapture.jl
  Julia package to compute trap-assisted electron and hole capture in semiconductors
  ☆57Updated 3 months ago
• msg-byu / autoGR
  Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density
  ☆40Updated last year
• tdep-developers / tdep-tutorials
  TDEP Tutorials
  ☆33Updated 5 months ago
• mturiansky / nonrad
  Implementation for computing nonradiative recombination rates in semiconductors
  ☆50Updated 2 weeks ago
• irreducible-representations / irrep
  ☆71Updated 3 weeks ago
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆58Updated last month
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆81Updated 6 months ago
• bjmorgan / py-sc-fermi
  py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…
  ☆29Updated 5 months ago
• mailhexu / TB2J
  a python package for computing magnetic interaction parameters
  ☆87Updated this week
• SSCHAcode / python-sscha
  The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
  ☆67Updated last month
• hungpham2017 / mcu
  Modeling and Crystallographic Utilities
  ☆51Updated 2 years ago
• yuzie007 / upho
  Band unfolding for phonons
  ☆58Updated last year
• band-unfolding / banduppy
  Python version ofthe BandUP code
  ☆27Updated last year
• wannier-developers / wannier-tutorials
  A repository hosting materials used during Wannier-related tutorials and schools
  ☆44Updated last year
• dkorotin / exchanges
  Exchange parameters of Heisenberg model calculation via Green's function approach
  ☆34Updated last year
• caizefeng / deltaspin
  A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP
  ☆32Updated last year
• JMSkelton / ModeMap
  A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.
  ☆47Updated last year
• QijingZheng / VaspPoscarMayavi
  Use 3D visualization software Mayavi to visualize VASP POSCAR file.
  ☆34Updated 2 years ago
• ltalirz / asetk
  Toolkit using the Atomistic Simulation Environment (ASE)
  ☆20Updated 5 years ago
• SSCHAcode / CellConstructor
  A python utilities to handle with atomic structures and interfacing with common formats (xyz and quantum-espresso).
  ☆22Updated 2 weeks ago
• DMFTwDFT-project / DMFTwDFT
  DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages
  ☆59Updated 3 years ago