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 <[email protected]> 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 > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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