yuanyue-liu-group / CP-VASPLinks
☆46Updated 9 months ago
Alternatives and similar repositories for CP-VASP
Users that are interested in CP-VASP are comparing it to the libraries listed below
Sorting:
- ☆57Updated 3 months ago
- ASE interface for fully constant potential with VASP☆35Updated 9 months ago
- ☆67Updated 2 years ago
- Dealing with slabs for first principles calculations of surfaces☆64Updated last year
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 2 years ago
- ☆42Updated 7 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated last year
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆23Updated 2 years ago
- ☆28Updated 2 years ago
- Visualize vibrational modes from VASP calculations☆42Updated 6 months ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆34Updated 4 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 2 months ago
- A lightweight python package for reading and writing VASP ML_AB files☆38Updated 5 months ago
- ☆36Updated 5 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆37Updated last month
- A code for generating irreducible site-occupancy configurations☆49Updated last year
- ☆56Updated 3 years ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆23Updated 2 years ago
- URL links to phonondb data☆32Updated last year
- ☆26Updated 7 months ago
- Tools for Phono(3)py power users.☆34Updated last year
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆62Updated 2 months ago
- A flexible workflow for on-the-fly learning of interatomic potential models.☆30Updated 3 weeks ago
- Band structure unfolding made easy!☆53Updated 3 weeks ago
- Defect structure-searching employing chemically-guided bond distortions☆98Updated 3 weeks ago
- Python package to analyse the structural dynamics of perovskites☆44Updated 7 months ago
- This GitHub repository contains additional information supporting published manuscripts☆17Updated 10 months ago
- a workflow to do constant potential thermodynamic integration in VASP☆11Updated 7 months ago