orest-d / p4vasp
p4vasp, the VASP Visualization Tool
☆140Updated 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.☆169Updated 8 years ago
- band plot using python matplotlib☆158Updated 3 months ago
- An updated version of the VASP2WANNIER90v2 interface☆90Updated last year
- Fix lattice component(s) during relaxation in VASP☆113Updated 2 years ago
- New ASE compliant Python interface to VASP☆127Updated 2 years ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆110Updated 2 years ago
- VASPKIT_manual markdown source!☆79Updated 5 years ago
- Useful scripts for VASP☆185Updated 3 years ago
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆222Updated 4 months ago
- Phonon anharmonicity analysis from molecular dynamics☆119Updated 3 months ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆152Updated 11 months ago
- ☆117Updated 6 years ago
- Effective Mass Calculator for Semiconductors☆104Updated 4 years ago
- ab-initio nonadiabatic molecular dynamics program☆101Updated 9 months ago
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆127Updated last month
- Electronic transport properties from first-principles calculations☆137Updated this week
- A Python library for electronic structure pre/post-processing☆177Updated 3 weeks ago
- 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
- Solvation model for the plane wave DFT code VASP.☆145Updated 7 months ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆99Updated 3 years ago
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆72Updated last month
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆160Updated this week
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆78Updated last year
- Notes and tutorials on Density Functional Theory calculation using Quantum Espresso.☆125Updated this week
- Python interface for VASP☆81Updated this week
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆75Updated 5 years ago
- ☆47Updated last year
- LAMMPS interface for phonon calculations using phonopy☆84Updated 5 months ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆160Updated last week
- Python package to analyse electron density & electrostatic potential grids☆85Updated last year