mp-722866/SbH6CN3F4/harm

Harmonic properties

../../_images/fig_bandos_pr4170.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5706.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4170.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23983.png

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

Summary

../../_images/fig_times7327.png

(a) Computation time