Multiwfn 3.8 Free Download Online

Which (e.g., Gaussian, ORCA) generated your source files.

Version 3.8 introduces several advanced analysis methods and improvements: Charge Analysis : A new option (Option 8) has been added to the

The program can analyze electronic wavefunctions from a wide variety of quantum chemistry packages, including Gaussian, ORCA, GAMESS-US, NWChem, Q-Chem, Turbomole, Molpro, Molcas, CFour, PSI4, MRCC, CP2K, and many others. This broad compatibility makes Multiwfn a universal analysis hub that accepts outputs from virtually any major quantum chemistry software and provides unified interfaces for wavefunction analysis, excited-state characterization, and molecular property calculation.

Available for both Intel and Apple Silicon (M1/M2) via specific builds. Key Features in Version 3.8 multiwfn 3.8 download

从2026年开始，Multiwfn采用了新的版本命名规则：

Computes Hirshfeld, Becke, Mulliken, and Electrostatic Potential (ESP) derived atomic charges.

You can find the direct download resources, core upgrades, platform-specific installation steps, and system configurations for the formal 3.8 release detailed below. Direct Official Download Resources Which (e

export OMP_STACKSIZE=200M ulimit -s unlimited

Multiwfn 3.8版本相对于3.7版本有大量重要更新，包括数十项新的分析功能、显著的性能改进和大量bug修复。

Software is often available for Windows, Linux, and macOS. Choose the version compatible with your operating system. Available for both Intel and Apple Silicon (M1/M2)

Multiwfn 3.8 is a valuable tool for researchers and students working in the field of computational chemistry. By downloading and learning to use this software, users can significantly enhance their ability to analyze and visualize complex chemical data. Always ensure to follow best practices for software installation and usage.

A new method for predicting nucleophilicity and electrophilicity of chemical bonds, based on the bond dual descriptor proposed in J. Math. Chem., 63, 1588 (2025), has been implemented. See Section 3.25.1 of the manual for an introduction and Section 4.22.5 for calculation examples.

Use the interactive plotting window to save your maps as high-resolution .png , .jpg , or .pdf graphics for publications.