Alternatives and similar repositories for Electrochemical-barrier

Users that are interested in Electrochemical-barrier are comparing it to the libraries listed below

• hellozhaoming / FCP-vasp-ase
  ASE interface for fully constant potential with VASP
  ☆34Updated 7 months ago
• VASPsol / VASPsol
  ☆48Updated last month
• yuanyue-liu-group / CP-VASP
  ☆41Updated 7 months ago
• QijingZheng / VaspVib2XSF
  Visualize vibrational modes from VASP calculations
  ☆41Updated 4 months ago
• mbkumar / pycdt
  ☆50Updated 2 years ago
• zishengz / gocia
  Global Optimizer for Clusters, Interfaces, and Adsorbates
  ☆28Updated 2 months ago
• mogroupumd / aimd
  ☆41Updated 6 years ago
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆60Updated 6 years ago
• gabkrenzer / vaspMD
  A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…
  ☆21Updated 2 years ago
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆63Updated last year
• avishart / CP2K_Editor
  CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…
  ☆55Updated 5 years ago
• yangjio4849 / TransOpt
  The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…
  ☆55Updated 2 years ago
• SINGROUP / VASP
  Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.
  ☆20Updated 6 years ago
• dakarhanek / VASP-infrared-intensities
  A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.
  ☆26Updated last year
• kumagai-group / pydefect
  Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
  ☆58Updated this week
• skelton-group / Phono3py-Power-Tools
  Tools for Phono(3)py power users.
  ☆33Updated last year
• ldwillia / SL3ME
  A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers
  ☆29Updated 3 years ago
• eminamitani / thermal_conductivity_code
  Allen-Feldman thermal conductivity compatible to GULP implementation
  ☆19Updated last month
• mz8879813 / LammpsPostprocessing
  Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data
  ☆13Updated 6 years ago
• rehnd / VASP-plot-modes
  Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP
  ☆32Updated last year
• FourPhonon / FourPhonon
  An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
  ☆65Updated last year
• FourPhonon / Fourthorder
  In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …
  ☆27Updated last year
• gabkrenzer / PhononFlow
  A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.
  ☆34Updated 2 years ago
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆53Updated 2 weeks ago
• caizefeng / deltaspin
  A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP
  ☆29Updated 6 months ago
• bigd4 / PyNEP
  A python interface of NEP
  ☆54Updated 5 months ago
• kavanase / vaspup2.0
  VASP Convergence Testing (for Energy & Dielectric Constants)
  ☆54Updated last year
• Yanggang-Wang-Group / CPTI
  a workflow to do constant potential thermodynamic integration in VASP
  ☆10Updated 5 months ago
• lxf-gzu / vasp_small_script
  ☆19Updated 6 years ago
• SMTG-Bham / ThermoParser
  A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…
  ☆52Updated 3 weeks ago