Dalton

From SNIC Documentation

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. At the release of Dalton 2.0 in March 2005, a total of 1208 licenses for Dalton 1.x had been issued. A new release is currently in preparation; Dalton 2011.

Availability

Resource	Centre	Description
Kappa	NSC	throughput cluster resource of 26 TFLOPS
Lindgren	PDC	Cray XE6 capability cluster with 305 TFLOPS peak performance
Matter	NSC	cluster resource of 37 TFLOPS dedicated to materials science

License

License: No licensing information available.

Experts

No experts have currently registered expertise on this specific subject. List of registered field experts:

		Field	AE FTE	General activities
Johan Raber (NSC)	NSC	Computational chemistry	5050
Michael Stenrup (UPPMAX)	UPPMAX	Computational chemistry	2525
Torben Rasmussen (NSC)	NSC	Computational chemistry	100100	Application expert coordinator (25% FTE). Installation and support of computational chemistry software. Snicdocs editing and development.