Contents

• QEtool - An automated tool for generating Quantum Espresso input files, data processing, and plotting.
• Mathematica - Common Mathematica scripts.
• MATLAB - Common MATLAB scripts.
• Julia - Common Julia scripts.

Runtime Environment

• Intel Parallel Studio Xe 2020 Update4
• Anaconda3 2023.03-1 | Python 3.10.16 | tensorflow-gpu 2.10.1
• Julia 1.10.7
• Matlab R2023b Update 10
• Mathematica 12.3.1
• Quantum ESPRESSO 7.3
• VASP 5.4.4

Contact

• Blog: https://www.misaraty.com
• ORCID: https://orcid.org/0000-0002-4080-0884
• Google Scholar: https://scholar.google.com/citations?hl=en&user=dI1p91YAAAAJ&view_op=list_works&sortby=pubdate
• Faculty Page: https://chem.hbu.cn/zzs/index.jhtml
• Email: misaraty@163.com