SMTG-Bham / ThermoParser
A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials science.
☆51Updated last week
Alternatives and similar repositories for ThermoParser:
Users that are interested in ThermoParser are comparing it to the libraries listed below
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆78Updated last year
- Visualize vibrational modes from VASP calculations☆39Updated last month
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆54Updated 2 years ago
- Dealing with slabs for first principles calculations of surfaces☆62Updated last year
- Export Eigenvectors from Phonopy format to VESTA☆38Updated 2 months ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆32Updated 2 years ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆55Updated this week
- Implementation for computing nonradiative recombination rates in semiconductors☆42Updated 4 months ago
- In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …☆27Updated last year
- VASP Convergence Testing (for Energy & Dielectric Constants)☆53Updated 10 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆31Updated 10 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 9 months ago
- Tools for Phono(3)py power users.☆32Updated last year
- Occupation matrix control modification VASP☆44Updated 5 years ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆64Updated 10 months ago
- The Temperature Dependent Effective Potentials (TDEP) code☆73Updated this week
- Band structure unfolding made easy!☆45Updated this week
- quick analysis of vasp calculation☆35Updated 8 months ago
- A Python suite for manipulating VASP input and output☆45Updated 8 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- Concentric Approximation - Non-adiabatic Coupling☆23Updated last week
- ☆48Updated 2 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆28Updated 2 months ago
- LAMMPS interface for phonon calculations using phonopy☆85Updated 6 months ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆59Updated 3 months ago
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆28Updated 3 years ago
- Band unfolding for phonons☆52Updated 4 months ago
- ☆43Updated 11 months ago
- Site-Occupation Disorder☆41Updated last year
- Allen-Feldman thermal conductivity compatible to GULP implementation☆18Updated 2 weeks ago