[Pw_forum] projected density of states

[xiaochuan Ge]

Dear Uri, the smoothness may only be due to the choice of broadening
function and the broadening parameters.

===================
Dr. Xiaochuan Ge (Giovanni)
Center for Functional Nanomaterials
Brookhaven national laboratory
===================

On 10 March 2015 at 05:25, Uri Argaman <argamanu at post.bgu.ac.il> wrote:

> Dear QE users and devalopers
> In the website:
>
> https://wiki.alcf.anl.gov/wparker/index.php/Platinum_projected_density_of_states
> I see a very interesting comparison between Quantum Espresso, ABINIT and
> GPAW. It can be seen that Quantum Espresso produced a very smooth projected
> density of states. Why does it happens? and why there is a significant
> difference between the different codes?
> In addition, it is strang that quantum espresso produced not smooth total
> DOS that have sharp picks
> (like in this publication: http://iopscience.iop.org/2053-1591/2/1/016505/)
> but the PDOS is smooth.
> Thank you in advance
> Uri Argaman
> Materisl Engineering Depantment
> Ben-Gurion University
> Israel
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150310/47c0b7fb/attachment.html>