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 3 years 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 plotting phonon dispersion curves and phonon density of states.☆11Updated 5 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…☆26Updated 2 years ago
- Ferroelectric/Ferroelastic domain wall builder☆23Updated last year
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 6 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Updated 5 years ago
- Visualize vibrational modes from VASP calculations☆44Updated 10 months ago
- ☆19Updated 6 years ago
- Script to generate distorted perovskite structures☆12Updated last year
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆26Updated 6 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- A code for generating irreducible site-occupancy configurations☆51Updated last year
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆63Updated last week
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- VASP Convergence Testing (for Energy & Dielectric Constants)☆56Updated 3 weeks ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆32Updated last month
- some toolkits for VASP☆32Updated 4 years ago
- Export Eigenvectors from Phonopy format to VESTA☆50Updated 11 months ago
- Tools for Phono(3)py power users.☆34Updated 2 years ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆14Updated 2 months ago
- quick analysis of vasp calculation☆38Updated last year
- Automatic search for the most stable magnetic state of a given structure☆24Updated 2 years ago
- Band structure unfolding made easy!☆58Updated last month
- ☆13Updated 2 years ago
- A Python suite for manipulating VASP input and output☆48Updated 3 weeks ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆71Updated 2 weeks ago
- ☆45Updated 7 years ago
- ☆60Updated last year