Set the environment variable in your .bashrc : export Multiwfnpath=/path/to/Multiwfn_folder . Add the folder to your PATH for global access.
is a comprehensive, open-source program designed for high-efficiency wavefunction analysis in quantum chemistry. Formally released on January 7, 2026 , this version introduces significant enhancements, including support for high-level wavefunctions (CCSD(T), CCSDT) and the implementation of the modified Independent Gradient Model (mIGM). Direct Download Links
Option 8 added to CHELPG/MK interfaces to constrain atomic charges to reproduce the electric dipole moment. multiwfn 3.8 download
While not officially precompiled, community-maintained builds are available via GitHub . New Features in Version 3.8
Windows is the most stable platform for Multiwfn and requires minimal setup. Download the Multiwfn_3.8_bin_Win64.rar file. Extract the contents using a tool like WinRAR or 7-Zip. Double-click Multiwfn.exe to start. Set the environment variable in your
Users can now use the left mouse button to rotate systems in the GUI window. Installation Guide 1. Windows Installation
New variants of the Independent Gradient Model (IGM) for studying weak interactions in static and fluctuating environments (e.g., molecular dynamics). Aromaticity Indices: Support for HOMAc and HOMER indices. Formally released on January 7, 2026 , this
Ability to analyze wavefunctions from methods like CCSD(T) and MP5 via ORCA 6.1 integration.