mp-626241-2/SrH16O10/harm

Equation of state

../../_images/fig_bm2881.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5760.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8319.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5760.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25556.png

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

Summary

../../_images/fig_times10434.png

(a) Computation time