vasp topic

List vasp repositories

jarvis

281
Stars
118
Forks
Watchers

JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ

pyiron

334
Stars
46
Forks
Watchers

pyiron - an integrated development environment (IDE) for computational materials science.

atomsk

187
Stars
73
Forks
Watchers

Atomsk: A Tool For Manipulating And Converting Atomic Data Files -

sisl

173
Stars
56
Forks
Watchers

Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations

pyprocar

165
Stars
71
Forks
Watchers

A Python library for electronic structure pre/post-processing

VASP2WAN90_v2_fix

84
Stars
37
Forks
Watchers

An updated version of the VASP2WANNIER90v2 interface

bandup

93
Stars
51
Forks
Watchers

BandUP: Band Unfolding code for Plane-wave based calculations

VaspStudio

70
Stars
18
Forks
Watchers

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