[QE-users] Phonon Density of States by atomic type

Baer, Bradly bradly.b.baer at Vanderbilt.Edu
Mon Aug 3 18:39:52 CEST 2020


Hello,

I was consulting the reference materials on materialsproject.org<https://materialsproject.org/materials/mp-830/> for a semiconductor.  In the section on phonon results, they had the phonon density of states plotted with the contributions of each type of atom as well as the total DOS.    I have calculated the DOS of a system before using QE, but only did the total DOS of the system.  Does QE have the capability to give similar results?

Thanks,
Brad

--------------------------------------------------------
Bradly Baer
Graduate Research Assistant, Walker Lab
Interdisciplinary Materials Science
Vanderbilt University


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