Alternatives and similar repositories for DFTtoolbox

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

• QijingZheng / VaspPoscarMayavi
  Use 3D visualization software Mayavi to visualize VASP POSCAR file.
  ☆34Updated 2 years ago
• qtm-iisc / Twister
  ☆60Updated 2 years ago
• yuzie007 / upho
  Band unfolding for phonons
  ☆58Updated last year
• hungpham2017 / mcu
  Modeling and Crystallographic Utilities
  ☆51Updated 2 years ago
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆38Updated last year
• mturiansky / nonrad
  Implementation for computing nonradiative recombination rates in semiconductors
  ☆49Updated 3 weeks ago
• nanoengineering / EPW-nano
  Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…
  ☆28Updated 5 years ago
• WatsonGroupTCD / Occupation-matrix-control-in-VASP
  Occupation matrix control modification VASP
  ☆52Updated 6 years ago
• rehnd / VASP-plot-modes
  Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP
  ☆34Updated last year
• wannier-developers / wannier-tutorials
  A repository hosting materials used during Wannier-related tutorials and schools
  ☆44Updated last year
• zerothi / ts-tbt-sisl-tutorial
  Tutorials for the sisl-TBtrans-TranSiesta suite
  ☆44Updated 2 weeks ago
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆81Updated 6 months ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆91Updated last month
• gcmt-group / sod
  Site-Occupation Disorder
  ☆47Updated 7 months ago
• afonari / emc
  Effective Mass Calculator for Semiconductors
  ☆110Updated 5 years ago
• whu-maple / tbhcnn
  Prototype code of the tight-binding hamiltonian construction neural network model. Check the example_basic_method.py to construct a TB mo…
  ☆31Updated 3 years ago
• tdep-developers / tdep-tutorials
  TDEP Tutorials
  ☆34Updated 6 months ago
• dalcorso / thermo_pw
  Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.
  ☆59Updated last week
• caizefeng / deltaspin
  A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP
  ☆33Updated last year
• ZhongweiZhangsite / WPPT
  Wavelike and Particlelike Phonon Transport (WPPT) Solver
  ☆28Updated 11 months ago
• Infant83 / VASPBERRY
  Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code
  ☆74Updated 4 months ago
• pipidog / ONCVPSP
  Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
  ☆90Updated 5 years ago
• pace-neutrons / Euphonic
  Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…
  ☆38Updated last week
• keeeto / VASP-Elastic
  Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities
  ☆26Updated 10 years ago
• hungpham2017 / pyWannier90
  A Wannier90 python interface for VASP and PySCF
  ☆40Updated last month
• band-unfolding / bandup
  BandUP: Band Unfolding code for Plane-wave based calculations
  ☆105Updated 4 years ago
• Chengcheng-Xiao / Tools
  DFT post processing tools
  ☆26Updated last year
• JMSkelton / ModeMap
  A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.
  ☆47Updated 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
• delton137 / PhononSED
  Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors
  ☆20Updated 5 years ago