mp-12368-2/SbS2NF6/harm

Equation of state

../../_images/fig_bm7627.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr15616.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20023.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15615.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215211.png

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

Summary

../../_images/fig_times25784.png

(a) Computation time