mp-559379/SbTeClO3/harm

Equation of state

../../_images/fig_bm4077.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7918.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11120.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7918.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27680.png

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

Summary

../../_images/fig_times13954.png

(a) Computation time