mp-20191-2/Si3Ru2/harm

Harmonic properties

../../_images/fig_bandos_pr13438.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17811.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13438.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213074.png

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

Summary

../../_images/fig_times22631.png

(a) Computation time