Its precompiled file and source codes are available from. The program is free of charge and open‐source. Five practical examples involving a wide variety of systems and analysis methods are given to illustrate the usefulness of Multiwfn. Its efficiency is demonstrated to be significantly higher than related programs with the same functions. The code of Multiwfn is substantially optimized and parallelized.

The program interface is very user‐friendly and suitable for both research and teaching purpose. The built‐in graph module enables the results of wavefunction analysis to be plotted directly or exported to high‐quality graphic file. Some other useful utilities involved in quantum chemistry studies are also provided. (6) Topology analysis for electron density. Its main functions are: (1) Calculating and visualizing real space function, such as electrostatic potential and electron localization function at point, in a line, in a plane or in a spatial scope. Multiwfn is a multifunctional program for wavefunction analysis.

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