Supplement Number 1

Name: Supplement Number 1
Published: 2025-03-20T12:02:24+00:00
License: https://creativecommons.org/licenses/by/4.0/
Keywords: DFT+U, convergence test

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posted on 2025-03-20, 12:02 authored by Shiyu Xiao, Songli Dai, Furong Xu, Heng Wang, Zhigang Yu, Zean Tian

The testing of U values in DFT+U, the convergence testing of K-points, and the stability analysis of MoSeF under strain conditions.

Supplement Number 1

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