17 citations · 22 across the 4 of their papers we have counts for
5 papers
ZStar: A unified toolkit for polarization, Born effective charges, dielectric and piezoelectric responses, and infrared and Raman spectra
Xudong Zhu, Junhong Li, Gan Jin +3
Born effective charge (BEC) tensors link atomic displacements to polarization, thereby connecting lattice vibrations with dielectric response and infrared activity. We present ZSta…
ABACUS: An Electronic Structure Analysis Package for the AI Era
Weiqing Zhou, Daye Zheng, Qianrui Liu +55
ABACUS (Atomic-orbital Based Ab-initio Computation at USTC) is an open-source software for first-principles electronic structure calculations and molecular dynamics simulations. It…
Tuning of Berry Curvature Dipole in TaAs slabs: An effective Route to Enhance Nonlinear Hall Response
Hongsheng Pang, Gan Jin, Lixin He
In materials without inversion symmetry, Berry curvature dipole (BCD) arises from the uneven distribution of Berry curvature in momentum space. This leads to nonlinear anomalous Ha…
PYATB: An Efficient Python Package for Electronic Structure Calculations Using Ab Initio Tight-Binding Model
Gan Jin, ongsheng Pang, Yuyang Ji +2
We present PYATB, a Python package designed for computing band structures and related properties of materials using the ab initio tight-binding Hamiltonian. The Hamiltonian is dire…
Efficient hybrid density functional calculation by deep learning
Zechen Tang, He Li, Peize Lin +7
Hybrid density functional calculation is indispensable to accurate description of electronic structure, whereas the formidable computational cost restricts its broad application. H…