Alternatives and similar repositories for autofp:

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

• SMTG-Bham / ThermoParser
  A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…
  ☆51Updated last month
• henniggroup / GASP-python
  Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
  ☆56Updated last year
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆61Updated last year
• SSCHAcode / python-sscha
  The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
  ☆59Updated 4 months ago
• egplar / vasp2cif
  A program that converts VASP POSCAR files to crystallographic information file format (CIF)
  ☆24Updated 11 years ago
• costrouc / dftfit
  Interatomic potential creating using DFT training data.
  ☆28Updated 5 years ago
• aiida-vasp / aiida-vasp
  A plugin to AiiDA for running simulations with VASP
  ☆51Updated 2 weeks ago
• SMTG-Bham / galore
  Gaussian and Lorentzian smearing of simulated spectra
  ☆39Updated 6 months ago
• pace-neutrons / Euphonic
  Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…
  ☆32Updated this week
• dalcorso / thermo_pw
  Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.
  ☆53Updated 3 weeks ago
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆78Updated last year
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆50Updated 3 weeks ago
• yangjio4849 / TransOpt
  The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…
  ☆54Updated 2 years ago
• kavanase / vaspup2.0
  VASP Convergence Testing (for Energy & Dielectric Constants)
  ☆54Updated last year
• DerekDardzinski / vaspvis
  A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.
  ☆36Updated 6 months ago
• JMSkelton / ModeMap
  A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.
  ☆41Updated 11 months ago
• henniggroup / MPInterfaces
  Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…
  ☆74Updated last year
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆122Updated 5 months ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆85Updated 7 months ago
• keeeto / VASP-Elastic
  Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities
  ☆25Updated 9 years ago
• mturiansky / nonrad
  Implementation for computing nonradiative recombination rates in semiconductors
  ☆47Updated 6 months ago
• oekosheri / GB_code
  A grain boundary generation code
  ☆65Updated last year
• mbkumar / pycdt
  ☆50Updated 2 years ago
• FourPhonon / FourPhonon
  An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
  ☆65Updated 11 months ago
• QijingZheng / VaspVib2XSF
  Visualize vibrational modes from VASP calculations
  ☆40Updated 2 months ago
• materials / mint
  Materials Interface: methods in computational materials science
  ☆26Updated 8 years ago
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆62Updated last year
• kumagai-group / pydefect
  Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
  ☆57Updated last month
• Baijianlu / mDCThermalC
  A software to calculate thermal conductivity quickly and accurately
  ☆34Updated 5 years ago
• ajjackson / ascii-phonons
  Blender extensions for illustrations of phonons
  ☆64Updated 6 years ago