Hi,
David is correct, you have to decrease the electronic temperature.
If you encounter any difficulties send me a message.
Best regards,
Eduardo
On 03/10/2008, at 19:40, David Strubbe wrote:
I think the LDOS is broadened by the electronic temperature, so maybe
you have to decrease that.
David Strubbe
UC Berkeley
On Fri, Oct 3, 2008 at 7:00 AM, Oleksandr Voznyy
<[EMAIL PROTECTED]> wrote:
Hi,
I'm trying to study the small nanocrystal and need to visualize
separate
energy levels of it, which are spaced by ~50meV (only Gamma point
is used
obviously).
Here is a part from EIG file:
-4.477
-4.39768
-4.35551
-4.33129
here is the gap
-3.83119
-3.80327
-3.76139
-3.72478
The problem is that when I try to plot LDOS in the range of energies
from -4.1 to -4 (i.e. ~0.2eV from real levels), it is still non-zero.
So it would be impossible to plot the LDOS of separate levels
separated by
only 0.05eV.
Is there any broadening used to calculate LDOS? And how to avoid it?
Sincerely,
Alexander
