blondegeek / ferroelectric_search_siteLinks
☆18Updated 5 years ago
Alternatives and similar repositories for ferroelectric_search_site
Users that are interested in ferroelectric_search_site are comparing it to the libraries listed below
Sorting:
- Tools for Phono(3)py power users.☆34Updated last year
- quick analysis of vasp calculation☆38Updated last year
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆25Updated 5 years ago
- Band structure unfolding made easy!☆57Updated last month
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆33Updated last year
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 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
- Automatic search for the most stable magnetic state of a given structure☆24Updated 2 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆49Updated last week
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆30Updated 4 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Updated 5 years ago
- DFT post processing tools☆26Updated last year
- topoPhonon package is a python package that allows users to calculate topological properties (berry phase, berry curvature, wannier charg…☆24Updated 8 months ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆81Updated 4 months ago
- Gaussian and Lorentzian smearing of simulated spectra☆42Updated last year
- VASP Convergence Testing (for Energy & Dielectric Constants)☆56Updated last year
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- A software to calculate thermal conductivity quickly and accurately☆35Updated 5 years ago
- Software to study polarization and topological properties of crystalline solids☆31Updated 10 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 5 months ago
- Interfacial Phonon code☆28Updated 3 years ago
- Script to generate distorted perovskite structures☆12Updated last year
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆30Updated last week
- A Python suite for manipulating VASP input and output☆48Updated 2 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 9 years ago
- python workflow for GW-BSE calculation☆30Updated 2 years ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆21Updated 5 months ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year