non-neutral solid calculation
Posted: Sun Jul 15, 2012 11:13 am
I'd like to calculate the system in which net charege is not zero.
I think that the running of this system without writing the total charge in INCAR will not give the correct result.
What should I do for it in INCAR?
Thanks for your help in advance.
Luke
<span class='smallblacktext'>[ Edited ]</span>
I think that the running of this system without writing the total charge in INCAR will not give the correct result.
What should I do for it in INCAR?
Thanks for your help in advance.
Luke
<span class='smallblacktext'>[ Edited ]</span>