Castep Software Free Download

17-09-2021
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Castep software, free download for pc

From the website—”Q. Am I eligible for an academic license and if so what must I do? CASTEP is available free-of-charge for academic use. CASTEP is a software package which uses density functional theory to provide a good atomic-level description of all manner of materials and molecules. CASTEP can give information about total energies, forces and stresses on an atomic system, as well as calculating optimum geometries, band structures, optical spectra, phonon spectra and much more. CASTEP (Cambridge Serial Total Energy Package) 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. Materials Studio is a modeling and simulation environment designed to allow to predict and understand the relationships of a material’s atomic and molecular structure with its properties and behavior. With it one can construct, manipulate and view models of molecules, crystalline materials, surfaces, polymers, and mesoscale structures. The CASTEP developers will hold a Developer Workshop 20th-23rd August in Oxford, to run concurrently with the user Training Workshop. This workshop will cover the fundamentals required to develop high-quality research methods and tools in CASTEP, as well as hands-on sessions doing practical software development in CASTEP.

Files with check extension are related to the CASTEP and used for its check binary data.

Software that open check file

Free

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CHECK file extension- CASTEP check binary data

Castep software, free download

What is check file? How to open check files?

File extension check is associated with the CASTEP, a software used to calculating the properties of materials from first principles developed by Castep team.

A .check file stores check binary data used by CASTEP.

Updated: June 4, 2021

The default software associated to open check file:

Company or developer:
Castep team

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.

Help how to open:

Use CASTEP to work with *.check files.

How to convert:

Probably cannot be converted to anything else.

List of software applications associated to the .check file extension

Recommended software programs are sorted by OS platform (Windows, macOS, Linux, iOS, Android etc.)
and possible program actions that can be done with the file: like open check file, edit check file, convert check file, view check file, play check file etc. (if exist software for corresponding action in File-Extensions.org's database).

Hint:
Click on the tab below to simply browse between the application actions, to quickly get a list of recommended software, which is able to perform the specified software action, such as opening, editing or converting check files.

Software that open check file - CASTEP check binary data

Programs supporting the exension check on the main platforms Windows, Mac, Linux or mobile. Click on the link to get more information about CASTEP for open check file action.

Castep

Multiplatform:

What is Profex?

Profex is a graphical user interface for Rietveld refinement of powder X-ray diffraction data with the program BGMN. It provides a large number of convenience features and facilitates the use of the BGMN Rietveld backend in many ways.

Key features

  • Support for a variety of raw data formats, including all major instrument manufacturers (Bruker / Siemens, PANalytical / Philips, Rigaku, Seifert / GE, and generic text formats)
  • Export of diffraction patterns to various text formats (ASCII, Gnuplot scripts, Fityk scripts), pixel graphics (PNG), and vector graphics (SVG)
  • Batch conversion of raw data scans
  • Automatic control file creation and output file name management
  • Conversion of CIF and ICDD PDF-4+ XML structure files to BGMN structure files
  • Export of refined crystal structures to CIF and Castep CELL format
  • Internal database for crystal structure files, instrument configuration files, and predefined refinement presets
  • Computation of chemical composition from refined crystal structures
  • Batch refinement
  • Export of refinement results to spreadsheet files (CSV format)
  • Context help for BGMN variables
  • Syntax highlighting
  • Enhanced text editors for structure and control file management and editing
  • Generic support for FullProf.2k as an alternative Rietveld backend to BGMN
  • And many more…

Profex runs on Windows, Linux, and Mac OS X operating systems and is available as free software licensed under the GNU General Public License (GPL) version 2 or any later version.

Video tutorials

August 12, 2020. Check out our brand new YouTube channel Profex Tutorials. We will periodically publish new tutorials for selected topics. The first episode explains installation and setup of Profex on three different platforms:

Castep software, free download

Profex 4.2 released

August 05, 2020. Profex, our software for Rietveld refinement of powder X-ray diffraction data (XRD), continues to gain popularity and is now established worldwide in the material and earth sciences communities. With the new version 4.2, it has received some long-awaited features that make it easier to use for new and experienced users. As always, Profex remains available as open-source software and is free for academic and commercial use. Visit the What’s new page for an overview of the new features, and download the latest version for Windows, Mac OS or Linux from the Download page.

Feature highlights in version 4.2

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Import of CIF structure files has further been improved. Most CIF files require no user input anymore. Wyckoff symbols are determined automatically.

Creating instrument configurations has always been a major obstacle for new users. A brand new graphical instrument editor is easier and more attractive to use. It guides users through the process of creating configuration files for their own devices.

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The search-match module for phase identification was introduced with Profex 4.0. With version 4.2, it supports chemical restrictions, which gives more control over the search process and improves the match rate and processing speed.

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Reference

Castep Software free. download full Version

Profex and BGMN are free to use and share, but users are kindly asked to cite the following open access publication if results generated with Profex are published in any form:

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DOI: doi:10.1107/S1600576715014685