SMTG-Bham / ThermoParserLinks
A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials science.
☆52Updated last month
Alternatives and similar repositories for ThermoParser
Users that are interested in ThermoParser are comparing it to the libraries listed below
Sorting:
- Implementation for computing nonradiative recombination rates in semiconductors☆48Updated 8 months ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆80Updated last month
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated last year
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆59Updated 3 weeks ago
- Export Eigenvectors from Phonopy format to VESTA☆43Updated 6 months ago
- Visualize vibrational modes from VASP calculations☆41Updated 5 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆43Updated last year
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 2 years ago
- Band structure unfolding made easy!☆53Updated last week
- Dealing with slabs for first principles calculations of surfaces☆63Updated last year
- Tools for Phono(3)py power users.☆33Updated last year
- ☆54Updated 2 years ago
- Occupation matrix control modification VASP☆49Updated 5 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆24Updated 4 years ago
- Site-Occupation Disorder☆41Updated 2 months ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated last year
- A Python suite for manipulating VASP input and output☆46Updated last year
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆66Updated last year
- Band unfolding for phonons☆54Updated 8 months ago
- quick analysis of vasp calculation☆36Updated last year
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆29Updated 2 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
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- The Temperature Dependent Effective Potentials (TDEP) code☆83Updated this week
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆29Updated 3 years ago
- LAMMPS interface for phonon calculations using phonopy☆87Updated 9 months ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 9 years ago
- Concentric Approximation - Non-adiabatic Coupling☆24Updated 4 months ago