Step 5: Your own structures library

You can make your own structure library very easily. First (before starting ADFinput) define an environment variable 'SCM_STRUCTURES'. It should point to some directory in which to search for possible structures. When you start ADFinput, the $SCM_STRUCTURES directory INCLUDING all subdirectories will be searched for structures. A structure is stored in an .adf file, you can just use any .adf file that you have created yourself.

Defining your structures
Using dummy atoms

 

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