raman-sc / VASPLinks
Python program to evaluate off-resonance Raman activity using VASP code as the backend.
☆179Updated 9 years ago
Alternatives and similar repositories for VASP
Users that are interested in VASP are comparing it to the libraries listed below
Sorting:
- Phonon anharmonicity analysis from molecular dynamics☆134Updated 2 months ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆175Updated last month
- Fix lattice component(s) during relaxation in VASP☆127Updated last week
- Solvation model for the plane wave DFT code VASP.☆167Updated 2 months ago
- band plot using python matplotlib☆177Updated last year
- Heavyweight plotting tools for ab initio calculations☆234Updated 6 months ago
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆255Updated 7 months ago
- Electronic transport properties from first-principles calculations☆157Updated 2 weeks ago
- ☆127Updated 6 years ago
- ab-initio nonadiabatic molecular dynamics program☆116Updated last year
- New ASE compliant Python interface to VASP☆135Updated 3 years ago
- Useful scripts for VASP☆194Updated 3 years ago
- Effective Mass Calculator for Semiconductors☆110Updated 5 years ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆121Updated 3 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆62Updated 6 years ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆182Updated 2 weeks ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆71Updated 2 weeks ago
- Anharmonic Lattice Dynamics☆163Updated last week
- LAMMPS interface for phonon calculations using phonopy☆91Updated last month
- In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …☆28Updated 2 years ago
- A Python library for electronic structure pre/post-processing☆195Updated last week
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆81Updated 6 months ago
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆223Updated 2 weeks ago
- A lite tool for monitoring convergence in VASP relaxation☆17Updated last year
- VASPKIT_manual markdown source!☆80Updated 6 years ago
- An updated version of the VASP2WANNIER90v2 interface☆103Updated 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
- A grain boundary generation code☆79Updated 2 years ago
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆129Updated 3 weeks ago
- Visualise lattice vibrations☆106Updated 6 months ago