MaterSim / vasprunLinks
quick analysis of vasp calculation
☆38Updated last year
Alternatives and similar repositories for vasprun
Users that are interested in vasprun are comparing it to the libraries listed below
Sorting:
- DFT post processing tools☆26Updated last year
- Occupation matrix control modification VASP☆53Updated 6 years ago
- ☆29Updated last year
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- Tools for Phono(3)py power users.☆35Updated 2 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆34Updated last year
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- Automatic search for the most stable magnetic state of a given structure☆25Updated 2 years ago
- Visualize vibrational modes from VASP calculations☆45Updated 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
- VASP Convergence Testing (for Energy & Dielectric Constants)☆56Updated 2 months ago
- Site-Occupation Disorder☆49Updated 9 months ago
- ☆36Updated 6 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Updated 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
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 8 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Updated 5 years ago
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆42Updated last year
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆35Updated 2 years ago
- TDEP Tutorials☆34Updated 8 months ago
- ☆19Updated 6 years ago
- A Python suite for manipulating VASP input and output☆49Updated 2 months ago
- ☆22Updated 2 years ago
- Band structure unfolding made easy!☆59Updated last month
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆83Updated 8 months ago
- Interfacial Phonon code☆28Updated 3 years ago
- DensityTool post-processing program for VASP☆31Updated 2 years ago
- A code for generating irreducible site-occupancy configurations☆53Updated 2 years ago