• Facets (new session)
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• Metadata
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  • Inverse Functional Properties: Disabled (fastest) Apply to subjects only Apply to objects only Apply to both subjects and objects
  • "Same As": Disabled (fastest) Apply to subjects only Apply to objects only Apply to both subjects and objects (recommended) Apply to subjects, objects and predicates (not recommended on big datasets) Apply to predicates only (special use cases only)

About: BigDFT     Goto   Sponge   NotDistinct   Permalink

An Entity of Type : yago:Software106566077, within Data Space : dbpedia.demo.openlinksw.com associated with source document(s)

Type: Thingsoftwareschema:CreativeWorkworkwikidata:Q386724Softwareyago:Abstraction100002137yago:Code106355894yago:CodingSystem106353757yago:Communication100033020yago:Writing106359877yago:WrittenCommunication106349220yago:Software106566077 New Facet based on Instances of this Class

BigDFT is a free software package for physicists and chemists, distributed under the GNU General Public License, whose main program allows the total energy, charge density, and electronic structure of systems made of electrons and nuclei (molecules and periodic/crystalline solids) to be calculated within density functional theory (DFT), using pseudopotentials, and a wavelet basis.