cmdlab / Hetero2dLinks
Automate the discovery of stable 2D materials stacked on substrates (either another 2d or substrate surface)! Compute the properties of the interacting system!
☆13Updated 2 years ago
Alternatives and similar repositories for Hetero2d
Users that are interested in Hetero2d are comparing it to the libraries listed below
Sorting:
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 2 years ago
- A tool for plotting phonon dispersion curves and phonon density of states.☆12Updated 4 years ago
- Automatic search for the most stable magnetic state of a given structure☆24Updated last year
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆24Updated 4 years ago
- Tools for Phono(3)py power users.☆33Updated 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…☆21Updated 2 years ago
- Visualize vibrational modes from VASP calculations☆41Updated 5 months ago
- ☆24Updated last month
- ☆19Updated 6 years ago
- Builds 2D heterostructures via coincidence lattice theory.☆14Updated last year
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated last year
- some toolkits for VASP☆30Updated 4 years ago
- quick analysis of vasp calculation☆36Updated last year
- Ferroelectric/Ferroelastic domain wall builder☆19Updated 8 months ago
- Script to generate distorted perovskite structures☆12Updated last year
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated last month
- ☆44Updated 8 months ago
- STM-2DScan.py is a postprocessing script for VASP code to generate STM images based on DFT-calculations. It firstly imports volumetric d…☆13Updated 5 years ago
- ☆36Updated 5 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆29Updated 2 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆43Updated last year
- ☆41Updated 6 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆13Updated 2 months ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated last year
- Vizualisation of Atomic Contributions to Phonon Modes☆13Updated 7 months ago
- python workflow for GW-BSE calculation