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CASTEP

The CASTEP code used in this package is basically an old academic version. Several modifications are necessary:

To compile the code you must prepare a standard file param.inc in your working directory and then submit a shell-script comp (supplied). After the compilation is completed, you will find in your working directory two executables: castepx which is the CASTEP itself and check which is a check utility described below.


next up previous contents
Next: Utilities used by CASTEP Up: Working with old academic Previous: Working with old academic   Contents
Lev Kantorovich 2006-05-08