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About: PARATEC     Goto   Sponge   NotDistinct   Permalink

An Entity of Type : dbo:Software, within Data Space : dbpedia.org associated with source document(s)

Type: software New Facet based on Instances of this Class

PARATEC (PARAllel Total Energy Code) is a package that performs ab initio quantum mechanical total energy calculations using pseudopotentials and a plane wave basis set. PARATEC is designed primarily for a massively parallel computing platform, and can run on serial machines. Calculations of XANES within such a full-potential approach has been implemented within PARATEC.