pace-neutrons / Euphonic
Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intensities from force constants.
☆31Updated last week
Alternatives and similar repositories for Euphonic:
Users that are interested in Euphonic are comparing it to the libraries listed below
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 8 months ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆59Updated last month
- Interfacial Phonon code☆25Updated 2 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆41Updated 3 months ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)☆37Updated this week
- Band structure unfolding made easy!☆45Updated this week
- Tools for Phono(3)py power users.☆31Updated last year
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆31Updated 2 years ago
- A command line tool written in Python/C++ for finding optimized SQS structures☆41Updated last week
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 4 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆31Updated 8 months ago
- Blender extensions for illustrations of phonons☆62Updated 5 years ago
- Converts the VASP WAVECAR to UNK files for wannier90.☆22Updated 4 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- Gaussian and Lorentzian smearing of simulated spectra☆38Updated 3 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆51Updated 3 weeks ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆76Updated last year
- Dealing with slabs for first principles calculations of surfaces☆59Updated last year
- Suite of Python scripts for Perturbo testing and postprocessing☆10Updated last week
- Automatic search for the most stable magnetic state of a given structure☆21Updated last year
- TDEP Tutorials☆24Updated last month
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆23Updated 8 months ago
- The Temperature Dependent Effective Potentials (TDEP) code☆74Updated last week
- python workflow for GW-BSE calculation☆25Updated last year
- A Wannier90 python interface for VASP and PySCF☆36Updated 11 months ago
- STM-2DScan.py is a postprocessing script for VASP code to generate STM images based on DFT-calculations. It firstly imports volumetric d…☆12Updated 4 years ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆52Updated this week
- quick analysis of vasp calculation☆35Updated 7 months ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆18Updated 5 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆51Updated 9 months ago