JMSkelton / ModeMapLinks
A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.
☆47Updated last year
Alternatives and similar repositories for ModeMap
Users that are interested in ModeMap are comparing it to the libraries listed below
Sorting:
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 6 months ago
- Band structure unfolding made easy!☆58Updated last month
- Dealing with slabs for first principles calculations of surfaces☆65Updated 2 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- Visualize vibrational modes from VASP calculations☆44Updated 10 months ago
- Band unfolding for phonons☆58Updated last year
- Tools for Phono(3)py power users.☆34Updated 2 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
- Interfacial Phonon code☆28Updated 3 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆56Updated 3 weeks ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆81Updated 6 months ago
- Implementation for computing nonradiative recombination rates in semiconductors☆49Updated 3 weeks ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆63Updated last week
- Compressive sensing lattice dynamics☆31Updated 9 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Updated 5 years ago
- Site-Occupation Disorder☆47Updated 7 months ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- quick analysis of vasp calculation☆38Updated last year
- Automatic search for the most stable magnetic state of a given structure☆24Updated 2 years ago
- Occupation matrix control modification VASP☆52Updated 6 years ago
- A Python suite for manipulating VASP input and output☆48Updated 3 weeks ago
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆38Updated last week
- Export Eigenvectors from Phonopy format to VESTA☆50Updated 11 months ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆29Updated 5 months ago
- A tool for finding optimized SQS structures tool written in C++☆60Updated last week
- ☆60Updated 3 years ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆67Updated last year
- Blender extensions for illustrations of phonons☆67Updated 6 years ago