penghao-xiao / Electrochemical-barrier
☆23Updated 2 years ago
Alternatives and similar repositories for Electrochemical-barrier:
Users that are interested in Electrochemical-barrier are comparing it to the libraries listed below
- ASE interface for fully constant potential with VASP☆30Updated 4 months ago
- ☆41Updated 10 months ago
- Visualize vibrational modes from VASP calculations☆37Updated last month
- Dealing with slabs for first principles calculations of surfaces☆61Updated last year
- ☆41Updated 6 years ago
- ☆48Updated 2 years ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆18Updated last week
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆51Updated this week
- ☆34Updated 4 months ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆31Updated 2 years ago
- Some useful vasp scripts and tools☆22Updated 5 years ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆55Updated this week
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆19Updated 6 years ago
- Tools for Phono(3)py power users.☆32Updated last year
- ☆24Updated last month
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆20Updated last year
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆54Updated 2 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆52Updated 10 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆31Updated 10 months ago
- 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…☆52Updated 5 years ago
- Occupation matrix control modification VASP☆44Updated 5 years ago
- ☆36Updated 5 years ago
- ☆24Updated last year
- ☆18Updated 5 years ago
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆28Updated 3 years ago
- ☆65Updated last year
- Defect structure-searching employing chemically-guided bond distortions☆88Updated 2 weeks ago
- Defect analysis modules for pymatgen☆45Updated last week
- quick analysis of vasp calculation☆35Updated 8 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago