3 Functions

This chapter introduces all functions of Multiwfn in detail, the numbers in the parentheses of secondary titles are indices of corresponding functions in main menu, the numbers in the parentheses of tertiary titles are indices of corresponding options in corresponding submenus. Different functions of Multiwfn require different types of input file, the information needed by each function are shown in the final line of corresponding section. Please choose proper type of input file according to the table in Section 2.5.

Note

[There is no Section 3.1 due to history reason ;-D]