The official site provides MD5 or SHA256 sums for each file. After downloading, compute the hash:
Windows (PowerShell):
Get-FileHash .\Multiwfn_3.8_bin_Win64.zip -Algorithm MD5
Linux/macOS:
md5sum Multiwfn_3.8_source.tar.gz
Compare the output with the value listed on the download page. Any mismatch indicates a corrupted or malicious file.
Downloading Multiwfn 3.8 is straightforward when using the official source. Always verify checksums, ensure dependencies are met, and test basic functionality (e.g., ./Multiwfn examples\water.fch) after extraction. For further help, consult the MANUAL.pdf included in the package or the user forum at http://bbs.keinsci.com.
Note: This paper is accurate as of the 3.8 release. Always check http://sobereva.com/multiwfn for the latest version and updates.
To download Multiwfn 3.8 , you should use the official website hosted by the developer, . This version was formally released on January 7, 2026 思想家公社 Download Steps Visit the Official Website : Go to the Multiwfn Download Page Select Your Distribution : Choose the package that matches your operating system: Windows 64-bit : Download the binary package (e.g., Multiwfn_2026.4.10_bin_Win64.rar Linux 64-bit : Choose between the Full version (with GUI) or the noGUI version if you are working on a server without graphical libraries.
: Official precompiled versions are not available, but you can find user-maintained builds on Download the Manual : It is highly recommended to download the Multiwfn 3.8 Manual
(PDF), which contains over 100 functions and detailed tutorials in Chapter 4. 思想家公社 Quick Setup Guide
: Extract the package to any folder. No installation is required; simply run the executable file. Multiwfnpath environment variable to the directory containing the settings.ini Configure the number of CPU cores by editing the parameter in the settings.ini file using a text editor like Documentation : For new users, refer to the Multiwfn Quick Start Guide to understand basic operations and FAQ. 思想家公社 Important Note multiwfn 3.8 download
: Starting in 2026, Multiwfn moved to a date-based naming convention (e.g., Multiwfn_2026.6.4
). Always check the site for the most recent update to ensure you have the latest bug fixes. 思想家公社 installing dependencies for the Linux GUI?
Multiwfn 3.8 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
The official source for all Multiwfn versions is the Multiwfn Official Website. Windows 64-bit: Download Binary (RAR)
Linux 64-bit: Download Full Version (ZIP) | No-GUI Version (ZIP)
macOS: While not officially precompiled, community-maintained builds are available via GitHub. New Features in Version 3.8
The 3.8 release marks a major milestone in the software's 15-year development history. Key updates include:
High-Level Analysis: Ability to analyze wavefunctions from methods like CCSD(T) and MP5 via ORCA 6.1 integration.
Advanced Charge Fitting: Option 8 added to CHELPG/MK interfaces to constrain atomic charges to reproduce the electric dipole moment. The official site provides MD5 or SHA256 sums for each file
mIGM & amIGM Support: 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.
UI Improvements: Users can now use the left mouse button to rotate systems in the GUI window. Installation Guide 1. Windows Installation
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.
Note: To enable parallel processing, edit the settings.ini file and set the nthreads parameter to match your CPU cores. 2. Linux Installation Download the Linux binary (Full or No-GUI). Unzip the package: unzip Multiwfn_3.8_bin_Linux.zip.
Set the environment variable in your .bashrc:export Multiwfnpath=/path/to/Multiwfn_folder. Add the folder to your PATH for global access. 3. macOS Considerations
macOS users are encouraged to use the Linux version remotely if possible, as native GUI support can be limited. For local installation, users should follow the manual compilation steps using Intel Fortran or community scripts. Compilation of Multiwfn for Mac with Apple Silicon chips
Multiwfn 3.8 was formally released on January 7, 2026, and is available for download on the official Multiwfn website. This version introduces significant features like the modified IGM (mIGM) for interaction analysis, enhanced support for high-level wavefunctions (e.g., CCSD(T) via ORCA), and new aromaticity indices like HOMAc and HOMER. Essential Resources & Downloads
The following files are hosted on the official Download page: Software Packages:
Windows 64-bit: Multiwfn_2026.4.10_bin_Win64.rar (Recommended for new users for stability and GUI ease). Linux/macOS:
md5sum Multiwfn_3
Linux 64-bit: Full versions and no-GUI versions (for command-line use without graphical libraries). macOS: Maintained by the community on GitHub. Documentation:
User Manual: Multiwfn_3.8.pdf — A comprehensive guide with over 100 tutorials and examples in Chapter 4.
Quick Start Guide: Multiwfn quick start.pdf — Ideal for beginners to find FAQ and common task indices. Key Usage Tips
REPORT: Multiwfn 3.8 Software Acquisition and Setup
Date: October 26, 2023 Subject: Download and Installation Procedure for Multiwfn 3.8
Path variable and add %Multiwfn%.Multiwfn. The program interface should launch successfully.Solution: This often occurs due to a missing Fortran runtime. Install libgfortran:
sudo apt install libgfortran5
To ensure your download has not been tampered with:
Compare the output with the official hash posted on sobereva.com.
Critical Warning: Avoid third-party download sites (e.g., random GitHub mirrors, CNET, Softpedia). The only official source for Multiwfn is the Beijing Kein Research Center for Natural Sciences or the Multiwfn homepage.
Multiwfn 3.8 requires no external libraries for basic use, but advanced features need:
If missing, you’ll see warnings; install via: