The program ORCA is a electronic structure program package written by F. Neese, with contributions from many current and former coworkers and several collaborating groups. The binaries of ORCA are available free of charge for academic users for a variety of platforms.


ORCA comes with a license, which prohibits us to “just install and everyone can use it”. We, therefore, need individual groups to print and sign the linked ORCA license). Subsequently, send it via internal mail (“Hauspost”) to “ZDV HPC group”. We will then set the permissions accordingly.

When doing so, please include (the send EULAG does not contain this information):

  • name
  • username
  • email address (in case we need to approach you)
  • and - particularly - the project name of your MOGON I and / or MOGON II project.
  • start/software/topical/physics/orca.txt
  • Last modified: 2020/04/16 15:40
  • by jrutte02