SAPT: A Program for Many-Body Symmetry-Adapted Perturbation Theory
Calculations
of Intermolecular Interaction Energies.
Input/Output Documentation

Bogumi Jeziorski and Robert Moszynski
Department of Chemistry, University of Warsaw,
ul. Pasteura 1, 02-093 Warsaw, Poland
Artur Ratkiewicz and Stanis aw Rybak
Institute of Chemistry, University of Warsaw,
al. Pi sudskiego 11/4, 15-443 Bia ystok, Poland
Krzysztof Szalewicz and Hayes L. Williams
Department of Physics and Astronomy,
University of Delaware, Newark, Delaware 19716

• Contents
• Introduction
• Tape Content
  • RS6000 or SGI
• Installation
  • RS6000
• How to run SAPT
  • RS6000 and SGI
• Input Description
  • Namelist TRN
  • Namelist CCINP
  • Namelist INPUTCOR
• Run Description
• Testing and Example Files
  • Be
  • (HF)
  • Ar-H
• Script for running SAPT
• Appendix: SCF Interfacing
• Appendix: Input/Output Example Files.
  • Be
  • (HF)
  • Ar-H
• About this document ...