Alternatives and similar repositories for pycdt

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

• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆111Updated this week
• kumagai-group / pydefect
  Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
  ☆64Updated last month
• SMTG-Bham / ThermoParser
  A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…
  ☆52Updated 7 months ago
• QijingZheng / VaspVib2XSF
  Visualize vibrational modes from VASP calculations
  ☆45Updated 11 months ago
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆65Updated 2 years ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆91Updated last month
• VASPsol / VASPsol
  ☆73Updated 8 months ago
• hellozhaoming / FCP-vasp-ase
  ASE interface for fully constant potential with VASP
  ☆40Updated last year
• mogroupumd / aimd
  ☆45Updated 7 years ago
• gcmt-group / sod
  Site-Occupation Disorder
  ☆47Updated 8 months ago
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆82Updated 7 months ago
• yuanyue-liu-group / CP-VASP
  ☆60Updated last year
• WatsonGroupTCD / Occupation-matrix-control-in-VASP
  Occupation matrix control modification VASP
  ☆53Updated 6 years ago
• mturiansky / nonrad
  Implementation for computing nonradiative recombination rates in semiconductors
  ☆49Updated last month
• QijingZheng / VASP_XDATCAR
  A python class for parsing VASP XDATCAR from molecular dynamics
  ☆26Updated last year
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆134Updated 2 months ago
• yangjio4849 / TransOpt
  The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…
  ☆55Updated 3 years ago
• rehnd / VASP-plot-modes
  Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP
  ☆34Updated last year
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆96Updated 3 weeks ago
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆58Updated last week
• penghao-xiao / Electrochemical-barrier
  ☆30Updated 3 years ago
• kavanase / vaspup2.0
  VASP Convergence Testing (for Energy & Dielectric Constants)
  ☆55Updated last month
• JMSkelton / ModeMap
  A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.
  ☆47Updated last year
• Tingliangstu / pySED
  To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.
  ☆48Updated last week
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆62Updated 6 years ago
• AdityaRoy-1996 / Phonopy_VESTA
  Export Eigenvectors from Phonopy format to VESTA
  ☆50Updated last year
• FourPhonon / FourPhonon
  An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
  ☆72Updated last month
• bjmorgan / vasppy
  A Python suite for manipulating VASP input and output
  ☆48Updated last month
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆68Updated last year
• oekosheri / GB_code
  A grain boundary generation code
  ☆79Updated 2 years ago