mogroupumd / interface_stabilityLinks
☆16Updated 6 years ago
Alternatives and similar repositories for interface_stability
Users that are interested in interface_stability are comparing it to the libraries listed below
Sorting:
- Allen-Feldman thermal conductivity compatible to GULP implementation☆21Updated 10 months ago
- ☆45Updated 7 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- Visualize vibrational modes from VASP calculations☆45Updated last year
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆33Updated last year
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆51Updated last week
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- Tools for Phono(3)py power users.☆35Updated 2 years ago
- Interfacial Phonon code☆28Updated 3 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆33Updated last month
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 3 years ago
- ☆19Updated 6 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Updated 5 years ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆24Updated last month
- A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.☆31Updated last year
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆14Updated 6 years ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆29Updated 5 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆20Updated 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…☆27Updated 2 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Updated 6 years ago
- A code for generating irreducible site-occupancy configurations☆53Updated 2 years ago
- Automatic search for the most stable magnetic state of a given structure☆25Updated 2 years ago
- Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.☆25Updated 8 years ago
- Tutorials on atomic simulations related to my research☆31Updated 3 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆34Updated last year
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆65Updated 2 months ago
- DFT post processing tools☆26Updated last year
- ☆16Updated 5 months ago
- 机器学习预测表面物种性质 Predict property on surface using machine learning with SOAP encode☆17Updated 7 years ago