Molecular Dynamics Trajectory of CH3NH3PbBr3 produced using VASP MLFF

Name: Molecular Dynamics Trajectory of CH3NH3PbBr3 produced using VASP MLFF
Creator: Zenodo
Published: 2023-06-02T13:01:33+08:00

Zenodo2023-06-02 更新2026-06-05 收录

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Molecular dynamics trajectories of CH3NH3PbBr3, with 1 fs timestep between computed frames, frames are recorded every 50 fs.

CH3NH3PbBr3的分子动力学轨迹（Molecular dynamics trajectories），计算帧间时间步长为1飞秒（fs），每50飞秒记录一帧数据。

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2023-06-02