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Utility check

This utility simulates a run of CASTEP: it reads all the data including pseudopotentials, density, etc., generates plane waves, etc. and then stops when all the preliminary work is done. If it reveals that some parameters set in the param.inc file are insufficient, it will give a FATAL message with an advice about the possible values for them. At the same time it gives error messages if it cannot open a file or cannot read it successfully. To compile the utility, submit the shell-script check.comp from your current directory



Lev Kantorovich 2006-05-08