Castep Software Free Download

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2. Castep software, free download For Windows 7
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Many people share .castep files without attaching instructions on how to use it. Yet it isn’t evident for everyone which program a .castep file can be edited, converted or printed with. On this page, we try to provide assistance for handling .castep files.

1 filename extension(s) found in our database.

Can anyone suggest free download. software for Density Functional Theory (DFT) calculation? You can follow CASTEP software. 3 Recommendations. Osama Thamer Hassan. Castep reports back when it is finished, and Materials Studio copies the results of the cal-culation back. The.castep file is opened au-tomatically so you can see what happened in the calculation. The main text output file from castep is dis-played in Materials Studio. It starts with a wel-come banner, then a summary of the parame.

Castep free download. Jmol Over 10,000,000 page views! Jmol/JSmol is a molecular viewer for 3D chemical structures that runs in. 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.

.castep - CASTEP Data

The CASTEP data files are related to CASTEP. CASTEP file is a CASTEP Data. 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.

Application:

CASTEP

Category:

Data files

Mime-type:

application/octet-stream

Magic:

- / -

Aliases:

-

CASTEP Data related extensions:

.cell

CASTEP Cell Input Data

.check

CASTEP Check Binary

.geom

CASTEP Geometry Data

.param

CASTEP Parameters Data

Naturally, other applications may also use the .castep file extension. Even harmful programs can create .castep files. Be especially cautious with .castep files coming from an unknown source!

Can't open a .castep file?

When you double-click a file to open it, Windows examines the filename extension. If Windows recognizes the filename extension, it opens the file in the program that is associated with that filename extension. When Windows does not recognize a filename extension, you receive the following message:

Windows can't open this file:
example.castep
To open this file, Windows needs to know what program you want to use to open it. Windows can go online to look it up automatically, or you can manually select one from a list of programs that are installed on your computer.

To avoid this error, you need to set the file association correctly.

• Open Control Panel > Control Panel Home > Default Programs > Set Associations.
• Select a file type in the list and click Change Program.

Operating systems

DataTypes.net currently supports the following operating systems:

Windows XP/Vista, Windows 7/8, Windows 10, CentOS, Debian GNU/Linux, Ubuntu Linux, FreeBSD, Mac OS X, iOS, Android

If you find the information on this page useful, please feel free to link to this page.

If you have useful information about the .castep file format, then write to us!

Please help us by rating this page below.

Version one, check2xsf, is no longer advertised. Versions prior to 1.14 have bugs when parsing wavefunctions from parallel Castep calculations, or from versions of Castep from 2016 and beyond: they are not recommended.

Version two is available either in the form of binaries, or source code under the GPL version 3, as below.

For features under development and expected in the next release,see the c2x futures page.

Also a lazy quick installationguide.

Binaries etc

Linux, 2.35, with spglib 1.16.0: Linux.

MacOS, 2.35, with spglib 1.12.2: MacOS (built onMacOS 10.11).

Man page, nroff source: man page.

Man page, html formatted: HTML-formatted man page.

Source

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c2x_2.35.tgz (A C compiler is the main build requirement).

Static link to latest source (should have the same contents as the above link).

Change log.

Test suite: c2x_test.tgz (updated for 2.35).

The main optional, but very useful and highly recommended,dependency is the SPGlib library. It is packaged for many Linuxdistributions, and is alsoavailable here.Version numbers of at least 1.11 are recommended, and 1.12.2 is knownto work with c2x and so iscached here.

Contributing

Ideas, and source code, contributions are welcome! But, ifcontributing source code, you must agree to assign all intellectualproperty rights to MJ Rutter, the main author of c2x, so that it ispossible to release c2x under other licences in the future. I do notbelieve that it will be possible for me to make my fortune bycommercialising c2x(!), but I do not wish to be unable to contribute itscode to a project which is not GPL v3 compatible.

Castep software, free download For Windows 7

See also the c2x futures page forfeatures under development but not yet in the public release.

Castep software, free download Windows 10

Contributions etc. via email tomjr19 @ cam.ac.uk.

Email list

There is a manually-maintained list for new release announcements, etc.To change your subscription, email mjr19 as above.

Citing c2x

If you find it useful in your published research, the traditional academic acknowledgement of a citation would be appreciated. C2x: a tool for visualisation and input preparation for Castep and other electronic structure codes, MJ Rutter, Computer Physics Communications, 225 174-179 (2018).