Alternatives and similar repositories for pycdt:

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

• 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.
  ☆56Updated 2 weeks ago
• QijingZheng / VaspVib2XSF
  Visualize vibrational modes from VASP calculations
  ☆39Updated last month
• gcmt-group / sod
  Site-Occupation Disorder
  ☆42Updated last year
• mogroupumd / aimd
  ☆41Updated 6 years ago
• VASPsol / VASPsol
  ☆46Updated 11 months ago
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆88Updated last month
• hellozhaoming / FCP-vasp-ase
  ASE interface for fully constant potential with VASP
  ☆31Updated 4 months ago
• kavanase / vaspup2.0
  VASP Convergence Testing (for Energy & Dielectric Constants)
  ☆53Updated 11 months ago
• WatsonGroupTCD / Occupation-matrix-control-in-VASP
  Occupation matrix control modification VASP
  ☆45Updated 5 years ago
• rehnd / VASP-plot-modes
  Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP
  ☆32Updated 10 months ago
• penghao-xiao / Electrochemical-barrier
  ☆25Updated 2 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
• michelegalasso / automag
  Automatic search for the most stable magnetic state of a given structure
  ☆21Updated last year
• dakarhanek / VASP-infrared-intensities
  A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.
  ☆23Updated 10 months ago
• JMSkelton / ModeMap
  A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.
  ☆41Updated 10 months ago
• bjmorgan / vasppy
  A Python suite for manipulating VASP input and output
  ☆45Updated 8 months ago
• ldwillia / SL3ME
  A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers
  ☆28Updated 3 years ago
• conodipaola / kg4vasp
  Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP
  ☆22Updated 4 years ago
• yuanyue-liu-group / CP-VASP
  ☆36Updated 5 months ago
• JaGeo / LobsterPy
  Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…
  ☆85Updated last week
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆35Updated 2 weeks ago
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆45Updated this week
• SMTG-Bham / ThermoParser
  A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…
  ☆51Updated 3 weeks ago
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆35Updated 9 months ago
• gabkrenzer / PhononFlow
  A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.
  ☆32Updated 2 years ago
• eminamitani / thermal_conductivity_code
  Allen-Feldman thermal conductivity compatible to GULP implementation
  ☆18Updated 3 weeks ago
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆56Updated 5 years ago
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆78Updated last year
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆85Updated 6 months ago