[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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