Dalton
by
Radovan Bast
—
last modified
Mar 24, 2011 07:14 PM
Dalton is a powerful molecular electronic structure program, with an extensive functionality for the calculation of molecular properties at the HF, DFT, MCSCF, and CC levels of theory.
How to run Dalton on stallo
For running Dalton you need 3 files: an input file (with the suffix "dal"), a molecule file (with the suffix "mol"), and a run script.
You can find example input files and run script here: http://wiki.ctcc.no/doku.php?id=public:howto:dalton_stallo
