cmdlab / Hetero2d
Automate the discovery of stable 2D materials stacked on substrates (either another 2d or substrate surface)! Compute the properties of the interacting system!
☆13Updated last year
Alternatives and similar repositories for Hetero2d:
Users that are interested in Hetero2d are comparing it to the libraries listed below
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆33Updated 2 years ago
- Builds 2D heterostructures via coincidence lattice theory.☆14Updated last year
- A tool for plotting phonon dispersion curves and phonon density of states.☆12Updated 4 years ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆21Updated last year
- Ferroelectric/Ferroelastic domain wall builder☆17Updated 5 months ago
- Script to generate distorted perovskite structures☆10Updated last year
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- ☆19Updated 5 years ago
- Tools for Phono(3)py power users.☆33Updated last year
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆23Updated 4 years ago
- Automatic search for the most stable magnetic state of a given structure☆22Updated last year
- a workflow to do constant potential thermodynamic integration in VASP☆10Updated 3 months ago
- Visualize vibrational modes from VASP calculations☆40Updated 2 months ago
- ☆37Updated 6 months ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆21Updated 3 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated 11 months ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆25Updated 11 months ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆28Updated 3 months ago
- Practical guide on how to use VASP☆19Updated 4 years ago
- ☆25Updated 3 months ago
- Interfacial Phonon code☆26Updated 2 years ago
- quick analysis of vasp calculation☆35Updated 10 months ago
- ☆25Updated 2 years ago
- ☆36Updated 5 years ago
- DFT post processing tools☆24Updated 8 months ago
- A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.☆26Updated 7 months ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated last year
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆28Updated 5 months ago