mp-626218-2/SbHO3/harm

Equation of state

../../_images/fig_bm2874.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5752.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8305.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5752.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25548.png

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

Summary

../../_images/fig_times10420.png

(a) Computation time