`compute_elastic`

This keyword is used to compute the elastic constants. The results are written to the file elastic.out.

Syntax

This keyword is used as follows:

compute_elastic <strain_value> <symmetry_type>

strain_value is the amount of strain to be applied in the calculations.

symmetry_type is the symmetry type of the material considered. Currently, it can only be cubic.

For example, the command:

compute_elastic 0.01 cubic

means that one wants to compute the elastic constants for a cubic system with a strain of 0.01.

This keyword must occur after the potential keyword.