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- PARATEC abstract "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 full-potential approach has been implemented within PARATEC.The total energy minimization of the electrons can be done by two methods: (i) the more traditional self-consistent field (SCF) method and (ii) direct minimization (currently only implemented for systems with a gap) of the total energy.".
- PARATEC wikiPageExternalLink jcph.1998.6181.
- PARATEC wikiPageExternalLink paratec.
- PARATEC wikiPageID "20548303".
- PARATEC wikiPageRevisionID "256281799".
- PARATEC hasPhotoCollection PARATEC.
- PARATEC subject Category:Physics_software.
- PARATEC comment "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.".
- PARATEC label "PARATEC".
- PARATEC sameAs m.051x7hs.
- PARATEC sameAs Q7118197.
- PARATEC sameAs Q7118197.
- PARATEC wasDerivedFrom PARATEC?oldid=256281799.
- PARATEC isPrimaryTopicOf PARATEC.