mogroupumd / interface_stabilityLinks
☆16Updated 5 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:
- Python scripts to postprocess Quantum Espresso calclations.☆19Updated 5 years ago
- Visualize vibrational modes from VASP calculations☆43Updated 8 months ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated 6 months ago
- ☆44Updated 7 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆25Updated 5 years ago
- Tools for Phono(3)py power users.☆34Updated last year
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 3 years ago
- Interfacial Phonon code☆28Updated 3 years ago
- This a toolkit repository to read, and analysis ab initio molecular dynamics simulations☆11Updated 4 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
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆33Updated last year
- 机器学习预测表面物种性质 Predict property on surface using machine learning with SOAP encode☆18Updated 6 years ago
- STM-2DScan.py is a postprocessing script for VASP code to generate STM images based on DFT-calculations. It firstly imports volumetric d…☆14Updated 5 years ago
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆29Updated 3 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- ☆19Updated 6 years ago
- extract third order force constants from TDEP output☆10Updated 5 years ago
- Automatic search for the most stable magnetic state of a given structure☆24Updated 2 years ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆30Updated 4 months ago
- Builds 2D heterostructures via coincidence lattice theory.☆14Updated last year
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆32Updated 9 months ago
- BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA☆19Updated 4 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆28Updated 10 months ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆24Updated 3 weeks ago
- Python program for analyzing the output files of phonopy.☆14Updated 4 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆30Updated last week
- DFT post processing tools☆26Updated last year
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆44Updated this week
- 高通量建立vasp模型和批量分析模型性质（High throughput VASP model and batch analysis model properties）☆13Updated 4 years ago