pyiron - an integrated development environment (IDE) for computational m...
Manipulating VASP files with Python.
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
Electronic structure Python package for post analysis and large scale ti...
p4vasp, the VASP Visualization Tool
atomate2 is a library of computational materials science workflows
Phonon anharmonicity analysis from molecular dynamics
BandUP: Band Unfolding code for Plane-wave based calculations
An updated version of the VASP2WANNIER90v2 interface
Python package to analyse electron density & electrostatic potential grids
An useful tool to submit your VASP job on HPC, manage your jobs and extr...
Defect structure-searching employing chemically-guided bond distortions
Fermi surface generation, analysis and visualisation.
DENSITY FUNCTIONAL THEORY EXERCISES. 本习题解答针对 DAVID S. SHOLL 的 De...
Dealing with slabs for first principles calculations of surfaces