ponychen123 / Vasptools
some toolkits for VASP
☆28Updated 3 years ago
Alternatives and similar repositories for Vasptools:
Users that are interested in Vasptools are comparing it to the libraries listed below
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- DFT post processing tools☆23Updated 6 months ago
- ☆18Updated 5 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆31Updated 2 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆31Updated 9 months ago
- Automatic search for the most stable magnetic state of a given structure☆21Updated last year
- quick analysis of vasp calculation☆35Updated 7 months ago
- ☆24Updated last year
- ☆19Updated 4 years ago
- Some useful vasp scripts and tools☆22Updated 5 years ago
- Tools for Phono(3)py power users.☆31Updated last year
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆19Updated 5 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆25Updated 5 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆26Updated 3 weeks ago
- Occupation matrix control modification VASP☆44Updated 5 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆51Updated 9 months ago
- KPROJ: A Band Unfolding Program☆38Updated 3 weeks ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆26Updated last month
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆25Updated 9 years ago
- Script to generate distorted perovskite structures☆10Updated 11 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆53Updated 2 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆28Updated last month
- Export Eigenvectors from Phonopy format to VESTA☆37Updated last month
- Interfacial Phonon code☆25Updated 2 years ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆28Updated last week
- Visualize vibrational modes from VASP calculations☆37Updated last week
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 8 months ago
- A collection of examples for running different types of VASP calculations.☆29Updated 8 years ago
- Ferroelectric/Ferroelastic domain wall builder☆17Updated 3 months ago