rohskopf / modecodeLinks
Massively parallel vibrational mode calculator.
☆23Updated 9 months ago
Alternatives and similar repositories for modecode
Users that are interested in modecode are comparing it to the libraries listed below
Sorting:
- The Temperature Dependent Effective Potentials (TDEP) code☆80Updated last week
- Interfacial Phonon code☆26Updated 2 years ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆42Updated 5 months ago
- Band structure unfolding made easy!☆53Updated this week
- Tools for Phono(3)py power users.☆33Updated last year
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated last month
- Dealing with slabs for first principles calculations of surfaces☆63Updated last year
- A command line tool written in Python/C++ for finding optimized SQS structures☆46Updated this week
- Site-Occupation Disorder☆42Updated last month
- TDEP Tutorials☆29Updated last month
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆42Updated last year
- Implementation for computing nonradiative recombination rates in semiconductors☆48Updated 7 months ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆32Updated last year
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆80Updated 2 weeks ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆61Updated 6 months ago
- python workflow for GW-BSE calculation☆28Updated last year
- Suite of Python scripts for Perturbo testing and postprocessing☆11Updated 2 weeks ago
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆37Updated last week
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆29Updated 6 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 3 weeks ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆28Updated 2 months ago
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆26Updated 4 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 2 years ago
- quick analysis of vasp calculation☆35Updated 11 months ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆34Updated 3 weeks ago
- Visualize vibrational modes from VASP calculations☆41Updated 4 months ago
- A lightweight python package for reading and writing VASP ML_AB files☆36Updated 3 months ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆43Updated last year
- Repository for spectral neighbor analysis potential (SNAP) model development.☆36Updated 4 years ago
- LAMMPS interface for phonon calculations using phonopy☆87Updated 9 months ago