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- CASTEP abstract "CASTEP is a commercial software package which uses density functional theory with a plane wave basis set to calculate the electronic properties of crystalline solids, surfaces, molecules, liquids and amorphous materials from first principles. The abbreviation stands for Cambridge Serial Total Energy Package. CASTEP permits geometry optimisation and finite temperature molecular dynamics with implicit symmetry and geometry constraints, as well as calculation of a wide variety of derived properties of the electronic configuration. CASTEP has been completely written for use on parallel computers by researchers at the Universities of York, Durham, St. Andrews, Cambridge and Rutherford Labs.".
- CASTEP wikiPageExternalLink www.castep.org.
- CASTEP wikiPageID "2437021".
- CASTEP wikiPageLength "2947".
- CASTEP wikiPageOutDegree "21".
- CASTEP wikiPageRevisionID "681124981".
- CASTEP wikiPageWikiLink Basis_set_(chemistry).
- CASTEP wikiPageWikiLink Bloch_wave.
- CASTEP wikiPageWikiLink Born–Oppenheimer_approximation.
- CASTEP wikiPageWikiLink Broyden–Fletcher–Goldfarb–Shanno_algorithm.
- CASTEP wikiPageWikiLink Category:Computational_chemistry_software.
- CASTEP wikiPageWikiLink Category:Density_functional_theory.
- CASTEP wikiPageWikiLink Category:Physics_software.
- CASTEP wikiPageWikiLink Conjugate_gradient_method.
- CASTEP wikiPageWikiLink Density_functional_theory.
- CASTEP wikiPageWikiLink Durham_University.
- CASTEP wikiPageWikiLink Ewald_summation.
- CASTEP wikiPageWikiLink Fast_Fourier_transform.
- CASTEP wikiPageWikiLink Fourier_transform.
- CASTEP wikiPageWikiLink Hessian_matrix.
- CASTEP wikiPageWikiLink List_of_quantum_chemistry_and_solid-state_physics_software.
- CASTEP wikiPageWikiLink Plane_wave.
- CASTEP wikiPageWikiLink Rutherford_Appleton_Laboratory.
- CASTEP wikiPageWikiLink Software.
- CASTEP wikiPageWikiLink University_of_Cambridge.
- CASTEP wikiPageWikiLink University_of_St_Andrews.
- CASTEP wikiPageWikiLink University_of_York.
- CASTEP wikiPageWikiLinkText "CASTEP".
- CASTEP wikiPageUsesTemplate Template:Science-software-stub.
- CASTEP subject Category:Computational_chemistry_software.
- CASTEP subject Category:Density_functional_theory.
- CASTEP subject Category:Physics_software.
- CASTEP hypernym Package.
- CASTEP type Software.
- CASTEP type Mechanic.
- CASTEP type Method.
- CASTEP type Physic.
- CASTEP comment "CASTEP is a commercial software package which uses density functional theory with a plane wave basis set to calculate the electronic properties of crystalline solids, surfaces, molecules, liquids and amorphous materials from first principles. The abbreviation stands for Cambridge Serial Total Energy Package.".
- CASTEP label "CASTEP".
- CASTEP sameAs Q5008880.
- CASTEP sameAs m.07cyp6.
- CASTEP sameAs Q5008880.
- CASTEP wasDerivedFrom CASTEP?oldid=681124981.
- CASTEP homepage www.castep.org.
- CASTEP isPrimaryTopicOf CASTEP.