mp-9270/SbIrS/harm

Harmonic properties

../../_images/fig_bandos_pr1415.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo1415.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc21267.png

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

Summary

../../_images/fig_times2128.png

(a) Computation time