mp-16609-2/Si3Os2/harm

Harmonic properties

../../_images/fig_bandos_pr14461.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18812.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14461.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214081.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times24077.png

(a) Computation time