castep.org
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Top URL related to castep.org
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1. Homepage | CASTEP
Link: http://www.castep.org/
Description: WebAug 21, 2023 · CASTEP is a leading code for calculating the properties of materials from first principles. Using density functional theory, it can simulate a wide range of properties of materials proprieties including energetics, structure at the atomic level, vibrational properties, electronic response properties etc. In particular it has a wide range of ...
DA: 33 PA: 78 MOZ Rank: 3
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2. CASTEP - Wikipedia
Link: https://en.wikipedia.org/wiki/CASTEP
Description: WebWebsite. www .castep .org. CASTEP is a shared-source academic and 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.
DA: 28 PA: 47 MOZ Rank: 58
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3. Capabilities | CASTEP
Link: http://www.castep.org/features/capabilities
Description: WebCapabilities. CASTEP is a full-featured materials modelling code based on a first-principles quantum mechanical description of electrons and nuclei. It uses the robust methods of a plane-wave basis set and pseudopotentials. CASTEP allows the calculation of many properties, with a variety of tools as the users disposal.
DA: 99 PA: 66 MOZ Rank: 84
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4. Castep | Materials Theory Group - University of Cambridge
Link: https://www.mtg.msm.cam.ac.uk/Codes/Castep
Description: WebCASTEP is a leading code based on planewave-pseudopotential density functional theory. CASTEP can calculate a plethora of properties from first-principles, including energies, vibrational properties (such as infra-red and Raman spectra), electronic response properties, NMR parameters and more.
DA: 70 PA: 11 MOZ Rank: 95
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5. Help and Support | CASTEP
Link: http://www.castep.org/help_and_support
Description: WebHelp with CASTEP input. CASTEP has a built-in keyword help system. To get more information on CASTEP use: castep -help (where "castep" should be replaced with "castep.serial" for the serial version of CASTEP, or "castep,mpi" for the parallel version.) Alternatively you can search for help on a particular topic. castep -help search <keyword>
DA: 45 PA: 22 MOZ Rank: 11
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6. Introduction - CASTEP Docs - GitHub Pages
Link: https://castep-docs.github.io/castep-docs/documentation/Getting_Started/intro/
Description: WebCASTEP is a software package to calculate the properties of materials.
DA: 61 PA: 88 MOZ Rank: 10
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7. CASTEP - University of Cambridge
Link: https://www.tcm.phy.cam.ac.uk/castep/documentation/WebHelp/content/modules/castep/abtcastep.htm
Description: WebCASTEP is a quantum mechanics-based program designed specifically for solid-state materials science. CASTEP employs the density functional theory plane-wave pseudopotential method, which allows you to perform first-principles quantum mechanics calculations that explore the properties of crystals and surfaces in materials such as …
DA: 16 PA: 88 MOZ Rank: 99
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8. CASTEP Docs - GitHub Pages
Link: https://castep-docs.github.io/castep-docs/
Description: WebThis is the CASTEP community documentation and tutorial site. For an overview of CASTEP, and to obtain a licence please see the castep website. For the Dassault Systèmes BIOVIA (Materials Studio) documentation for CASTEP see HTML documentation and a downloadable pdf user guide. Contributors:
DA: 19 PA: 60 MOZ Rank: 97
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9. Running CASTEP - CASTEP Docs - GitHub Pages
Link: https://castep-docs.github.io/castep-docs/documentation/Getting_Started/running_castep/
Description: WebRunning CASTEP - CASTEP Docs. CASTEP has two main input files, called the cell file and the param file. The cell file defines the structure of the material (or molecule) you wish to study, and the param file defines the kind of simulation CASTEP should perform.
DA: 78 PA: 42 MOZ Rank: 72
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10. Materials StudioDatasheet CASTEP - Stanford University
Link: https://web.stanford.edu/group/glam/xlab/Software/CASTEP_datasheet.pdf
Description: WebWhat Does CASTEP Do? Originally developed in the Theory of Condensed Matter Group at Cambridge University, UK, CASTEP (Cambridge Sequential Total Energy Package) is a suite of programs that provides advanced quantum mechan-ical calculations for chemicals and materials research.
DA: 8 PA: 48 MOZ Rank: 21
