tdep-developers / tdep-tutorialsLinks
TDEP Tutorials
☆32Updated 3 months ago
Alternatives and similar repositories for tdep-tutorials
Users that are interested in tdep-tutorials are comparing it to the libraries listed below
Sorting:
- Tools for Phono(3)py power users.☆34Updated last year
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆46Updated last year
- ☆20Updated 8 months ago
- Interfacial Phonon code☆28Updated 3 years ago
- Compressive sensing lattice dynamics☆28Updated 6 months ago
- python workflow for GW-BSE calculation☆30Updated 2 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 3 years ago
- ☆22Updated 2 years ago
- Band structure unfolding made easy!☆55Updated last week
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- DensityTool post-processing program for VASP☆31Updated last year
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 4 months ago
- Band unfolding for phonons☆56Updated 10 months ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆29Updated 3 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆25Updated 5 years ago
- Script to generate distorted perovskite structures☆12Updated last year
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆33Updated last year
- quick analysis of vasp calculation☆37Updated last year
- Gaussian and Lorentzian smearing of simulated spectra☆41Updated 11 months ago
- ☆26Updated 8 months ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Updated 3 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆20Updated 11 months ago
- Dealing with slabs for first principles calculations of surfaces☆64Updated last year
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆30Updated 10 months ago
- Site-Occupation Disorder☆44Updated 5 months ago
- Visualize vibrational modes from VASP calculations☆43Updated 7 months ago
- Automatic search for the most stable magnetic state of a given structure☆24Updated last year
- ☆12Updated 2 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆30Updated last week
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆22Updated 3 years ago