orest-d / p4vasp
p4vasp, the VASP Visualization Tool
☆138Updated 2 years ago
Alternatives and similar repositories for p4vasp:
Users that are interested in p4vasp are comparing it to the libraries listed below
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆168Updated 8 years ago
- band plot using python matplotlib☆156Updated 2 months ago
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆221Updated 3 months ago
- Phonon anharmonicity analysis from molecular dynamics☆117Updated 2 months ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆151Updated 10 months ago
- A Python library for electronic structure pre/post-processing☆174Updated last week
- New ASE compliant Python interface to VASP☆123Updated 2 years ago
- VASPKIT_manual markdown source!☆79Updated 5 years ago
- ab-initio nonadiabatic molecular dynamics program☆101Updated 7 months ago
- Fix lattice component(s) during relaxation in VASP☆112Updated 2 years ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆153Updated 2 months ago
- Solvation model for the plane wave DFT code VASP.☆144Updated 6 months ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆109Updated 2 years ago
- Heavyweight plotting tools for ab initio calculations☆210Updated last month
- An updated version of the VASP2WANNIER90v2 interface☆90Updated last year
- Useful scripts for VASP☆185Updated 3 years ago
- Electronic transport properties from first-principles calculations☆137Updated 2 weeks ago
- VaspCZ: an Efficient VASP Computation Assistant Program, with High Throughput Computing. 包含静态优化、过渡态计算、振动分析等☆112Updated 2 years ago
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆71Updated 2 weeks ago
- Effective Mass Calculator for Semiconductors☆104Updated 4 years ago
- Python interface for VASP☆80Updated last week
- LAMMPS interface for phonon calculations using phonopy☆84Updated 4 months ago
- ☆116Updated 5 years ago
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆155Updated this week
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆122Updated this week
- An useful tool to submit your VASP job on HPC, manage your jobs and extract eneries...自动化VASP任务提交、计算结果提取,任务文件管理的工具☆74Updated 4 years ago
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆73Updated 11 months ago
- Python package to analyse electron density & electrostatic potential grids☆85Updated last year
- BandUP: Band Unfolding code for Plane-wave based calculations☆99Updated 3 years ago
- A grain boundary generation code☆60Updated last year