Multiwfn 3.8 — Download & Quick Guide

Multiwfn is a multifunctional wavefunction analysis program widely used in computational chemistry for analyzing electronic structure outputs (Gaussian, Orca, Q-Chem, MOLPRO, etc.). Version 3.8 includes performance improvements, new analysis modules, and expanded format support.

  1. Extract the ZIP file to C:\Multiwfn_3.8 (avoid spaces in the path).
  2. Locate Multiwfn.exe.
  3. Critical for 3.8: Ensure settings.ini and the functions folder are in the same directory as the .exe.
  4. To run, open Command Prompt or PowerShell in that folder and type .\Multiwfn.exe, or double-click the executable (though CLI is recommended).

This article provides everything you need to know: where to find the official Multiwfn 3.8 download, how to install it on Windows, Linux, and macOS, the standout features of this release, and how to troubleshoot common issues.

Multiwfn is available for multiple operating systems. When you visit the download page, ensure you select the appropriate package:

New Features in Multiwfn 3.8:

C. File Retrieval

The software is packaged in compressed archives.

macOS: While not officially precompiled, community-maintained builds are available via GitHub. New Features in Version 3.8

While you are on the download page, grab the Multiwfn Manual. It is famously detailed (over 1,000 pages) and contains step-by-step tutorials for almost every chemical problem imaginable. Installation and Setup Tips