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Castep.org - Homepage | CASTEP

Provided by Alexa ranking, castep.org has ranked N/A in N/A and 4,656,131 on the world. castep.org reaches roughly 664 users per day and delivers about 19,934 users each month. The domain castep.org uses a Commercial suffix and it's server(s) are located in N/A with the IP number 127.0.0.1 and it is a .org domain.

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 ...

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  • Homepage | CASTEP

    castep.org:80

    http://www.castep.org:80/

    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: 16 PA: 31 MOZ Rank: 36

  • CASTEP - Wikipedia

    wikipedia.org:443

    https://en.wikipedia.org:443/wiki/CASTEP

    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: 22 PA: 92 MOZ Rank: 26

  • Castep | Materials Theory Group - University of Cambridge

    ac.uk:443

    https://www.mtg.msm.cam.ac.uk:443/Codes/Castep

    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: 15 PA: 16 MOZ Rank: 97

  • Capabilities | CASTEP

    castep.org:80

    http://www.castep.org:80/features/capabilities

    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: 38 PA: 84 MOZ Rank: 78

  • Help and Support | CASTEP

    castep.org:80

    http://www.castep.org:80/help_and_support

    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: 13 PA: 52 MOZ Rank: 54

  • Introduction - CASTEP Docs - GitHub Pages

    github.io:443

    https://castep-docs.github.io:443/castep-docs/documentation/Getting_Started/intro/

    WEBCASTEP is a software package to calculate the properties of materials. It is based on quantum mechanics, in a form known as density functional theory, and can simulate a wide range of materials proprieties including energetics, structure at the atomic level, vibrational properties, and many experimental characterisation methods, such as infra ...

    DA: 47 PA: 83 MOZ Rank: 73

  • CASTEP - University of Cambridge

    ac.uk:443

    https://www.tcm.phy.cam.ac.uk:443/castep/documentation/WebHelp/content/modules/castep/abtcastep.htm

    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: 35 PA: 62 MOZ Rank: 34

  • Running CASTEP - CASTEP Docs - GitHub Pages

    github.io:443

    https://castep-docs.github.io:443/castep-docs/documentation/Getting_Started/running_castep/

    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: 26 PA: 19 MOZ Rank: 62

  • CASTEP Docs - GitHub Pages

    github.io:443

    https://castep-docs.github.io:443/castep-docs/

    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: 2 PA: 90 MOZ Rank: 46

  • Materials StudioDatasheet CASTEP - Stanford University

    stanford.edu:443

    https://web.stanford.edu:443/group/glam/xlab/Software/CASTEP_datasheet.pdf

    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: 68 PA: 68 MOZ Rank: 33

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