[Wien] charged ions in supercell

Igor Shilov ishilov at yahoo.com
Mon Nov 24 20:35:34 CET 2003


Dear WIEN users,

How can I include positive/negative charged ion in the structure?
For example, I'd like to put one Mn+ or Mn2- atom instead of Si in
supercell. Is it enough to just change Z number in struct file (before
or after runing lstart?) or should I change inst file? 

Thank you in advice for your suggestions.
Igor Shilov


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