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
- Tools for Phono(3)py power users.☆34Updated 2 years ago
- A tool for plotting phonon dispersion curves and phonon density of states.☆12Updated 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…☆25Updated 2 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Ferroelectric/Ferroelastic domain wall builder☆21Updated last year
- ☆19Updated 6 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 5 months ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- Script to generate distorted perovskite structures☆12Updated last year
- Automatic search for the most stable magnetic state of a given structure☆24Updated 2 years ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆44Updated 2 weeks ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆56Updated last year
- Visualize vibrational modes from VASP calculations☆43Updated 9 months ago
- A code for generating irreducible site-occupancy configurations☆49Updated last year
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- ☆44Updated 7 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆30Updated 2 weeks ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆32Updated 10 months ago
- Interfacial Phonon code☆28Updated 3 years ago
- TDEP Tutorials☆32Updated 4 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆25Updated 5 years ago
- Band structure unfolding made easy!☆57Updated last week
- Dealing with slabs for first principles calculations of surfaces☆65Updated 2 years ago
- Site-Occupation Disorder☆45Updated 6 months ago
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆17Updated 7 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year