Charged Defects
Posted: Wed Feb 22, 2006 7:45 pm
Dear VASPers,
I am wondering if we by somehow can put an ion (let's say: Na+) into a supercell? One way I know is to use NELECT.
Thanks!
<span class='smallblacktext'>[ Edited ]</span>
I am wondering if we by somehow can put an ion (let's say: Na+) into a supercell? One way I know is to use NELECT.
Thanks!
<span class='smallblacktext'>[ Edited ]</span>