CASTEP > CASTEP jobs > CASTEP file formats > chdiff

CASTEP file formats - CHDIFF

The .chdiff file contains the electron density difference calculated as part of a CASTEP job. The density difference is evaluated by subtracting the sum of the atomic densities from the total electron density of the system.

See Also:

CASTEP jobs
CASTEP file formats

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