Alternatives and similar repositories for supercell

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

• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆133Updated 3 weeks ago
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆47Updated 8 months ago
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆71Updated 5 months ago
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆81Updated 5 months ago
• giovannipizzi / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆142Updated 6 months ago
• hackingmaterials / amset
  Electronic transport properties from first-principles calculations
  ☆156Updated last week
• aiida-vasp / aiida-vasp
  A plugin to AiiDA for running simulations with VASP
  ☆56Updated this week
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆66Updated last year
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆90Updated last month
• SSCHAcode / python-sscha
  The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
  ☆67Updated last week
• yuzie007 / upho
  Band unfolding for phonons
  ☆57Updated last year
• skelton-group / Phonopy-Spectroscopy
  A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
  ☆169Updated 2 months ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆88Updated last year
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆88Updated last year
• WatsonGroupTCD / Occupation-matrix-control-in-VASP
  Occupation matrix control modification VASP
  ☆50Updated 6 years ago
• henniggroup / GASP-python
  Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
  ☆57Updated 2 years ago
• mbkumar / pycdt
  ☆57Updated 3 years ago
• afonari / emc
  Effective Mass Calculator for Semiconductors
  ☆110Updated 5 years ago
• vasp-dev / py4vasp
  Python interface for VASP
  ☆87Updated this week
• kumagai-group / pydefect
  Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
  ☆63Updated 2 months ago
• dgehringer / sqsgenerator
  A for finding optimized SQS structures tool written in C++
  ☆51Updated 3 weeks ago
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆57Updated last week
• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆134Updated 3 years ago
• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆180Updated last week
• mturiansky / nonrad
  Implementation for computing nonradiative recombination rates in semiconductors
  ☆50Updated last week
• gcmt-group / sod
  Site-Occupation Disorder
  ☆45Updated 6 months ago
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆65Updated 2 years ago
• aoterodelaroza / critic2
  Analysis of quantum chemical interactions in molecules and solids.
  ☆112Updated this week
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆108Updated this week
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆190Updated this week