by

Castep Software Free Download

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. 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.

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.

software, free download For Pc

Download

Source

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).

Castep software, free download. software

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.

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

Castep software, free download Cnet

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.

Castep software, free download 2012

Citing c2x

Castep software, free download 2012

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).