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
- 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 Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- TDEP Tutorials☆32Updated 4 months ago
- Tools for Phono(3)py power users.☆34Updated 2 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- Automatic search for the most stable magnetic state of a given structure☆24Updated 2 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆56Updated last year
- ☆16Updated 5 years ago
- Interfacial Phonon code☆28Updated 3 years ago
- Occupation matrix control modification VASP☆50Updated 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
- DFT post processing tools☆26Updated last year
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆20Updated 5 years ago
- Site-Occupation Disorder☆45Updated 6 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆25Updated 5 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆30Updated 2 weeks ago
- DensityTool post-processing program for VASP☆31Updated last year
- ☆27Updated 9 months ago
- A Python suite for manipulating VASP input and output☆48Updated 2 months ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆28Updated 4 years ago
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆34Updated 9 years ago
- A software to calculate thermal conductivity quickly and accurately☆35Updated 5 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- some toolkits for VASP☆32Updated 4 years ago
- Script to generate distorted perovskite structures☆12Updated last year
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆32Updated 10 months ago
- A code for generating irreducible site-occupancy configurations☆49Updated last year