[Pw_forum] projected density of states

Uri Argaman argamanu at post.bgu.ac.il
Tue Mar 10 10:25:38 CET 2015


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
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