Alternatives and similar repositories for pycdt:

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

• QijingZheng / VaspVib2XSF
  Visualize vibrational modes from VASP calculations
  ☆40Updated 2 months ago
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆90Updated 2 months ago
• SMTG-Bham / ThermoParser
  A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…
  ☆51Updated last month
• 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
• rehnd / VASP-plot-modes
  Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP
  ☆32Updated 11 months ago
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆50Updated 3 weeks ago
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆36Updated last month
• conodipaola / kg4vasp
  Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP
  ☆23Updated 4 years ago
• mogroupumd / aimd
  ☆41Updated 6 years ago
• kavanase / vaspup2.0
  VASP Convergence Testing (for Energy & Dielectric Constants)
  ☆54Updated last year
• ldwillia / SL3ME
  A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers
  ☆28Updated 3 years 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
• skelton-group / Phono3py-Power-Tools
  Tools for Phono(3)py power users.
  ☆33Updated last year
• dakarhanek / VASP-infrared-intensities
  A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.
  ☆25Updated 11 months ago
• VASPsol / VASPsol
  ☆47Updated last year
• gabkrenzer / PhononFlow
  A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.
  ☆33Updated 2 years ago
• gcmt-group / sod
  Site-Occupation Disorder
  ☆42Updated this week
• penghao-xiao / Electrochemical-barrier
  ☆25Updated 2 years ago
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆122Updated 5 months ago
• yuanyue-liu-group / CP-VASP
  ☆37Updated 6 months ago
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆78Updated 2 weeks ago
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆78Updated last year
• michelegalasso / automag
  Automatic search for the most stable magnetic state of a given structure
  ☆22Updated last year
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆35Updated 10 months ago
• eminamitani / thermal_conductivity_code
  Allen-Feldman thermal conductivity compatible to GULP implementation
  ☆19Updated last week
• AdityaRoy-1996 / Phonopy_VESTA
  Export Eigenvectors from Phonopy format to VESTA
  ☆40Updated 3 months ago
• JaGeo / LobsterPy
  Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…
  ☆86Updated this week
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆85Updated 7 months ago
• hellozhaoming / FCP-vasp-ase
  ASE interface for fully constant potential with VASP
  ☆31Updated 5 months ago