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cond-mat.mtrl-sci2024
A Recursive Hybrid Tetrahedron Method for Brillouin-zone Integration
Kun Dong, Yihao Lin, Xiaoqiang Liu +2
A recursive extension of the hybrid tetrahedron method for Brillouin-zone integration is proposed, allowing iterative tetrahedron refinement and significantly reducing the error fr…
cond-mat.mtrl-sci2024
Assessing the atomic moment picture of spin dynamics: the perspective of \textit{ab initio} magnon wavefunction
Yihao Lin, Ji Feng
Our understanding of collective spin fluctuation in materials relies largely on Heisenberg-type spin Hamiltonians. Implicit in these spin models is the atomic moment picture that i…
cond-mat.mtrl-sci2022
An implementation of the density functional perturbation theory in the PAW framework
Xiaoqiang Liu, Yihao Lin, Ji Feng
Quantifying materials' dynamical responses to external electromagnetic fields is central to understanding their physical properties. Here we present an implementation of the densit…