Tutorial

See the .pdf or .docx file below. You can copy Python codes from .docx files.
Part1 code.pdf | Part1 code.docx
Part2 code.pdf | Part2 code.docx
Part3 code.pdf | Part3 code.docx

Updated

• Value of PBE-D4 and B3LYP-D4 at p. 35 had been changed (28. June. 2023.)