Dataset for GAP and GPrep training for Ru and RuO; dftb parameters for Ru and RuO

Name: Dataset for GAP and GPrep training for Ru and RuO; dftb parameters for Ru and RuO
Creator: Edmond
Published: 2025-05-08 11:57:50
License: 暂无描述

DataCite Commons2025-05-08 更新2025-04-16 收录

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https://edmond.mpg.de/citation?persistentId=doi:10.17617/3.CRSJQV

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资源简介：

Dataset for GAP and GPrep training for Ru and RuO; dftb parameters for Ru and RuO. Ru and RuO datasets are divided into generations, used for the iterative convergence of the GAP. DFTB parameters were obtained using the last training set for each system.

提供机构：

Edmond

创建时间：

2022-12-31