Baijianlu / mDCThermalCLinks
A software to calculate thermal conductivity quickly and accurately
☆35Updated 5 years ago
Alternatives and similar repositories for mDCThermalC
Users that are interested in mDCThermalC are comparing it to the libraries listed below
Sorting:
- Automatic search for the most stable magnetic state of a given structure☆24Updated 2 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 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
- TDEP Tutorials☆34Updated 6 months ago
- Tools for Phono(3)py power users.☆34Updated 2 years ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆24Updated 2 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 7 months ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆28Updated last year
- Script to generate distorted perovskite structures☆12Updated last year
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- topoPhonon package is a python package that allows users to calculate topological properties (berry phase, berry curvature, wannier charg…☆26Updated last month
- AICON2: A program for calculating transport properties quickly and accurately☆15Updated 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
- A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation☆23Updated 10 years ago
- ☆22Updated 2 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Updated 5 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆32Updated 11 months ago
- quick analysis of vasp calculation☆38Updated last year
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆20Updated 5 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- Interfacial Phonon code☆28Updated 3 years 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
- Site-Occupation Disorder☆47Updated 8 months ago
- A Python suite for manipulating VASP input and output☆48Updated last month
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆71Updated 3 weeks ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated 2 years ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆44Updated 2 years ago
- Gaussian and Lorentzian smearing of simulated spectra☆44Updated last year
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆32Updated 2 months ago