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2018.105 (MARCONI) 2019.104 (G100)

The Amsterdam Density Functional (ADF) package is software for first-principles electronic structure calculations. ADF is used by academic and industrial researchers worldwide in such diverse fields as pharmacochemistry and materials science.

ADF is based on Density Functional Theory (DFT), which has dominated quantum chemistry applications since the early 1990s. DFT gives superior accuracy to Hartree-Fock theory and semi-empirical approaches. In contrast to conventional ab initio methods (MP2, CI, CC), it enables accurate treatment of systems with several hundreds of atoms (or several thousands with QM/MM).

Target user: 
Support level: 
Help and documentation: 

You can find documentation on the system, with the command:

module help adf 

Please ask our UserSupport (mailto: superc@cineca.it) for any problem or additional info.

The manual is on the web at the original home page ADF manual at the original site="http://www.scm.com/Doc/Doc2002/ADFUsersGuide.pdf"


ATTENTION: from the 2006 version, it is important in parallel runs to specify the number of processors you intend to use with the option "-n".