mp-626218/SbHO3/harm

Harmonic properties

../../_images/fig_bandos_pr5751.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8304.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5751.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25547.png

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

Summary

../../_images/fig_times10419.png

(a) Computation time