CASTEP > CASTEP jobs > CASTEP file formats > check, castep_bin

CASTEP file formats - binary checkpoint files

The .check and .castep_bin files contain the numerical output of a CASTEP job in binary format. The difference between the two files is that the .check file stores electronic wavefunctions in addition to all other information (calculation parameters, structure, electron density, electronic, and vibrational properties) and can become very large for large systems.

At least one of these files is required by the Materials Studio client to analyze CASTEP results. The CASTEP module in Materials Studio allows you to choose which of the two binary files to download after job execution.

Visualization of orbitals or of STM images requires information about electronic wavefunctions, hence the .check file is always downloaded if any of these properties were requested.

See Also:

CASTEP jobs
CASTEP file formats

Accelrys Materials Studio 8.0 Help: Wednesday, December 17, 2014
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