Alternatives and similar repositories for aiida-vasp

Users that are interested in aiida-vasp are comparing it to the libraries listed below

• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆81Updated 6 months ago
• SSCHAcode / python-sscha
  The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
  ☆67Updated last month
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆65Updated 2 years ago
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆67Updated last year
• SMTG-Bham / ThermoParser
  A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…
  ☆52Updated 6 months ago
• JMSkelton / ModeMap
  A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.
  ☆47Updated last year
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆91Updated last month
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆58Updated last month
• kumagai-group / pydefect
  Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
  ☆63Updated last week
• bjmorgan / vasppy
  A Python suite for manipulating VASP input and output
  ☆48Updated last month
• yuzie007 / upho
  Band unfolding for phonons
  ☆58Updated last year
• kavanase / vaspup2.0
  VASP Convergence Testing (for Energy & Dielectric Constants)
  ☆56Updated 3 weeks ago
• mbkumar / pycdt
  ☆60Updated 3 years ago
• aiidateam / aiida-cp2k
  The CP2K plugin for the AiiDA workflow and provenance engine.
  ☆25Updated 2 months ago
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆47Updated 10 months ago
• WatsonGroupTCD / Occupation-matrix-control-in-VASP
  Occupation matrix control modification VASP
  ☆52Updated 6 years ago
• gcmt-group / sod
  Site-Occupation Disorder
  ☆47Updated 8 months ago
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆88Updated last year
• mturiansky / nonrad
  Implementation for computing nonradiative recombination rates in semiconductors
  ☆49Updated last month
• orex / supercell
  The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.
  ☆103Updated last year
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆134Updated 2 months ago
• henniggroup / GASP-python
  Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
  ☆57Updated 2 years ago
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆94Updated last week
• vasp-dev / py4vasp
  Python interface for VASP
  ☆88Updated this week
• QijingZheng / VaspVib2XSF
  Visualize vibrational modes from VASP calculations
  ☆44Updated 10 months ago
• vossjo / libbeef
  Library for Bayesian error estimation functionals for use in density functional theory codes
  ☆27Updated 2 years ago
• ajjackson / ascii-phonons
  Blender extensions for illustrations of phonons
  ☆67Updated 6 years ago
• dgehringer / sqsgenerator
  A tool for finding optimized SQS structures tool written in C++
  ☆60Updated last week
• jrschmidt2 / periodic-NBO
  ☆36Updated 6 years ago
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆38Updated last year