ertekin-research-group / VTAnDeMLinks
Toolkit for visualizing phase stability and defects diagrams from DFT calculations of multicomponent materials.
☆19Updated last year
Alternatives and similar repositories for VTAnDeM
Users that are interested in VTAnDeM are comparing it to the libraries listed below
Sorting:
- ☆24Updated 11 months ago
- Tools for Phono(3)py power users.☆34Updated 2 years ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆29Updated 5 months ago
- ☆21Updated 11 months ago
- Interfacial Phonon code☆28Updated 3 years ago
- TDEP Tutorials☆33Updated 5 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 last year
- quick analysis of vasp calculation☆38Updated last year
- ☆22Updated 2 years ago
- python workflow for GW-BSE calculation☆31Updated 2 years ago
- DFT post processing tools☆26Updated last year
- Gaussian and Lorentzian smearing of simulated spectra☆44Updated last year
- Interfacial heat conductance☆13Updated last year
- Code to convert DFPT modes in OUTCAR files to VESTA images☆26Updated 3 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Updated 5 years ago
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Updated 2 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Updated 5 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆19Updated 5 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 2 years ago
- Modeling and Crystallographic Utilities☆51Updated 2 years ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 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
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- Tutorial files for alamode☆13Updated last year
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆18Updated 4 months ago
- Compressive sensing lattice dynamics☆31Updated 9 months ago
- A computational framework to automate point defect calculations☆38Updated 7 years ago