sindrebilden / pyeels
Simulation package for constructing model band structures and calculate momentum resolved EEELS (low loss region) on the basis of these
☆14Updated 4 years ago
Alternatives and similar repositories for pyeels:
Users that are interested in pyeels are comparing it to the libraries listed below
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆32Updated this week
- Python interface for the Dr. Probe command line tools☆12Updated 3 years ago
- Python Processing Tool for Vasp Ipnut/Output☆13Updated last year
- Grand canonical optimization of grain boundary phases.☆19Updated this week
- Docs and examples for Quantum-Espresso☆16Updated 7 years ago
- Gaussian and Lorentzian smearing of simulated spectra☆40Updated 6 months ago
- A user package of LAMMPS software enabling simulations using linearized machine learning potentials☆8Updated last month
- WanTiBEXOS code repository☆12Updated this week
- ☆14Updated 5 years ago
- X-ray diffraction calculations☆7Updated 2 years ago
- Reads crystallographic cif files and simulates diffraction☆61Updated last week
- STM-2DScan.py is a postprocessing script for VASP code to generate STM images based on DFT-calculations. It firstly imports volumetric d…☆13Updated 5 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated last year
- Interfacial heat conductance☆12Updated 7 months ago
- ☆11Updated 5 years ago
- LiquidDiffract is a GUI program to process experimental X-ray diffraction data of liquids/amorphous solids.☆19Updated 11 months ago
- BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA☆19Updated 4 years ago
- ☆16Updated 5 years ago
- Data analysis code used in the paper "Strain Fields in Twisted Bilayer Graphene"☆12Updated 4 years ago
- Corrections for formation energy and eigenvalues for charged defect simulations☆13Updated 2 years ago
- generator of simple atomistic models☆27Updated 6 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
- ☆13Updated 2 months ago
- topoPhonon package is a python package that allows users to calculate topological properties (berry phase, berry curvature, wannier charg…☆23Updated 3 months ago
- VASP Integrated Supporting Environment☆23Updated this week
- MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments☆26Updated this week
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆23Updated 4 years ago
- Builds 2D heterostructures via coincidence lattice theory.☆14Updated last year
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆12Updated 3 years ago
- TEM data quantification library through a model-based approach☆18Updated this week