Multiwfn is cross-platform. During the process, you will see options for:
Multiwfn 3.8 introduced numerous improvements over its predecessors (such as 3.6 or 3.7) that researchers rely on: multiwfn 3.8 download
was formally released on January 7, 2026 . It is a high-performance, open-source program for comprehensive electronic wavefunction analysis, widely used in quantum chemistry. 1. Download and Package Selection Multiwfn is cross-platform
Multiwfn 3.8 supports a vast array of input files generated by major quantum chemistry programs like Gaussian, ORCA, Q-Chem, and multi-purpose formats like .wfn , .wfx , .molden , and .mwfn . Operating System Package Type Requirements / Notes Precompiled Binary ( .rar ) Runs natively; interactive GUI. Linux 64-bit Full GUI Version ( .zip ) Requires standard graphical libraries. Linux 64-bit No-GUI Version ( .zip ) Ideal for HPC clusters; CLI only. Mac OS Source Compilation Community maintained on GitHub. Key Features in Multiwfn 3.8 1. Advanced Intermolecular Interaction Analysis Linux 64-bit Full GUI Version (
For example, to perform a Hirshfeld charge analysis on a Gaussian .fchk file, one simply launches Multiwfn, inputs the path to the file, selects option “7” (population analysis), and then sub-option “5” (Hirshfeld charges). The output is displayed on screen and can be saved to a text file. The learning curve is gentle, especially given the extensive manual (over 300 pages) that accompanies version 3.8.