You are viewing an old version of this page. View the current version.

Compare with Current View Page History

« Previous Version 28 Next »

Introduction

Dalton is a powerful molecular electronic structure program, with an extensive functional for the calculation of molecular properties at the HF, DFT, MCSCF, and CC levels of theory.

Licensing and Versions

Leibniz Computing Centre makes use of the academic site license for this package. Please note that you are required to comply with the license terms, especially the requirement to include the proper citation in any published work arising from the use of the program.

Usage

Load the appropriate environment module via 

module load dalton

Subsequently, you can call Dalton via

dalton <further options> input_file


  • No labels