Multiwfn 3.8 is backward compatible but settings files from older versions may cause conflicts. Keep separate folders for v3.7 and v3.8, then migrate custom settings.ini manually.
Available in both binary and source code formats for high-performance computing (HPC) clusters.
Type 1 and press to view basic file information, total electron count, and orbital energies. Type q to return to the main menu or exit the program.
Version 3.8 significantly expands capabilities beyond legacy packages. The most impactful analytical additions include: multiwfn 3.8 download
Multiwfn is updated frequently. Version 3.8 introduced several specific features (such as new options for IGM analysis, updated ADCH charge calculations, etc.). For a complete list of changes specific to 3.8, you can refer to the or "Manual" available on the download page.
Version 3.8 introduces several advanced analysis methods and improvements: Charge Analysis : A new option (Option 8) has been added to the
If you are just starting, I highly recommend downloading the manual and reviewing the "Quick Start" section first. It will save you time in navigating the program's extensive functionality. Multiwfn 3
When you download the package, it is highly recommended to also download or refer to these essential documents:
Ensure you have your .wfn , .wfx , .fchk , or .molden files ready for analysis. Why Version 3.8?
建议：
Which (Gaussian, ORCA, etc.) generated your source files?
Save the file, exit the editor, and update your current terminal session: source ~/.bashrc Use code with caution. Run the program by typing Multiwfn . Getting Started: Running Your First Analysis
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Version 3.8 introduces significant enhancements to its analysis capabilities:
Once downloaded, move the archive to your preferred working directory and extract the files using standard compression software (like 7-Zip, WinRAR, or tar utilities in Linux). Installation and Environment Setup