Good day.
I really need your advice.
I want to calculate charged iodine chains. It is complex structure, with pairs of negative ions and neutral atoms.
How can i simulate such structure in the ABINIT package? How can i set a charge for certain atoms?
Thanks you in advance.
Search found 1 match
- Tue Apr 05, 2011 10:44 am
- Forum: Ground state
- Topic: Calculation of charged atoms
- Replies: 0
- Views: 1959