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checkrelax

Prints the amount of relaxation each structure in */str_relax.out has
undergone, relative to */str.out
Typically, values above 0.1 are considered too much for the
cluster expansion to be applicable and the offending structures
should be disabled using the command:
 touch structure_number/error
where structure_number is the appropriate directory name.


avdw@alum.mit.edu Mon Jun 22 11:08:18 CDT 2009