[Wien] How do you manipulate the supercell-struct file to introduct defects in structure?

wien battery wienbattery at yahoo.com
Thu Nov 13 01:05:57 CET 2003


Hello All,

My subject heading is basically my question to the
group.


How do you manipulate the supercell-struct file to
introduct defects in structure?

The main thrust of this inquiry is how do I introduce
defects in a structure without generating error
messages during the initialization process or other
stages of the calculation. Currently I am at loss.
Thank you for your time.




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