Software supporting NWChem

While we have done our best to compile an exhaustive list of software using NWChem, we might have missed packages and/or incorrectly described some software features. Please use the Github Issue feature to provide feedback on this page content.

User interface software

Codes using NWChem wavefunctions and/or post-processing NWChem output files

Programs that can display or manipulate cube and/or Molden files

The following programs can display cube files from charge density and ESP and/or use Molden files

Programs post-processing AIM files

NWChem can generate AIM3 wavefunction files (.wfn/.wfx) can be post-processed with a variety of codes, e.g.


  1. No longer been actively developed at PNNL. New development effort at https://github.com/FriendsofECCE/ECCE/releases 

  2. The WebMo interface might not be compatible with NWChem 6.0 and later versions 

  3. WARNING: Since we have discovered issues in generating .WFN files with this module (e.g. systems with ECPs), the recommended method for generating .WFN file is to first generate a Molden file with the Moldenfile option, then convert the Molden file into a WFN file by using the Molden2AIM program.