keeeto / VASP-ElasticLinks
Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities
☆26Updated 10 years ago
Alternatives and similar repositories for VASP-Elastic
Users that are interested in VASP-Elastic are comparing it to the libraries listed below
Sorting:
- quick analysis of vasp calculation☆38Updated last year
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- Site-Occupation Disorder☆47Updated 7 months 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
- Python scripts to postprocess Quantum Espresso calclations.☆19Updated 5 years ago
- Tools for Phono(3)py power users.☆34Updated 2 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- Occupation matrix control modification VASP☆52Updated 6 years ago
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆17Updated 7 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- VASP Convergence Testing (for Energy & Dielectric Constants)☆56Updated 3 weeks ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 6 months ago
- A Python suite for manipulating VASP input and output☆48Updated 3 weeks ago
- ☆27Updated 11 months ago
- Visualize vibrational modes from VASP calculations☆44Updated 10 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- A software to calculate thermal conductivity quickly and accurately☆35Updated 5 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆33Updated last year
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 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…☆25Updated last month
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆24Updated 2 months ago
- TDEP Tutorials☆34Updated 6 months ago
- ☆36Updated 6 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆26Updated 6 years ago
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- Dealing with slabs for first principles calculations of surfaces☆65Updated 2 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Updated 5 years ago
- Automatic search for the most stable magnetic state of a given structure☆24Updated 2 years ago