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!
☆12Updated last year
Alternatives and similar repositories for Hetero2d:
Users that are interested in Hetero2d are comparing it to the libraries listed below
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆19Updated 6 years 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
- Tools for Phono(3)py power users.☆32Updated last year
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 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…☆20Updated last year
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆31Updated 10 months ago
- Script to generate distorted perovskite structures☆10Updated last year
- Interfacial Phonon code☆25Updated 2 years ago
- Automatic search for the most stable magnetic state of a given structure☆21Updated last year
- ☆18Updated 5 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆27Updated last month
- Ferroelectric/Ferroelastic domain wall builder☆17Updated 4 months ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆12Updated this week
- Builds 2D heterostructures via coincidence lattice theory.☆13Updated last year
- A tool for plotting phonon dispersion curves and phonon density of states.☆11Updated 4 years ago
- Visualize vibrational modes from VASP calculations☆37Updated last month
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- DFT post processing tools☆23Updated 6 months ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆18Updated last week
- some toolkits for VASP☆28Updated 3 years ago
- A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.☆24Updated 5 months ago
- quick analysis of vasp calculation☆35Updated 8 months ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆23Updated 9 months ago
- ☆23Updated 2 years ago
- Python program for analyzing the output files of phonopy.☆13Updated 3 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆28Updated 2 months ago
- Vizualisation of Atomic Contributions to Phonon Modes☆10Updated 3 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆54Updated 2 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 4 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆26Updated 2 months ago