关注: 1) origin数据积分、寻峰 2) origin数据平滑处理 https://www.originlab.com/origin#Peak_Analysis https://www.originlab.com/doc/Origin-Help/Smooth-Algorithm The Lowess and Loess method Lowess and Loess are abbreviations for locally weigh ...
关注: 1) 一些实用的小命令 / 脚本 2) 收集、使用中提高 3) GGA+U, 修改局域轨道占据 https://github.com/WatsonGroupTCD/Occupation-matrix-control-in-VASP grep onsite density matrix for i in 8 ...