Nearly Free Electron Energy Bands
Posted: Thu Oct 11, 2012 11:54 am
Dear VASPians,
I would like to draw sort of "nearly free electron energy bands" with VASP.
How can I mimic band structures under nearly free electronic approximation?
If I should "rescale" the potential, then which part of POTCAR should I change?
Is there any short cut for doing this? (like hidden TAGs for scaling...)
Or is there any tools for generating free electron band structures for given crystal structures?
Many thanks in advance.
<span class='smallblacktext'>[ Edited ]</span>
I would like to draw sort of "nearly free electron energy bands" with VASP.
How can I mimic band structures under nearly free electronic approximation?
If I should "rescale" the potential, then which part of POTCAR should I change?
Is there any short cut for doing this? (like hidden TAGs for scaling...)
Or is there any tools for generating free electron band structures for given crystal structures?
Many thanks in advance.
<span class='smallblacktext'>[ Edited ]</span>