mp-995215-2/CsSrSiHO4/harm

Equation of state

../../_images/fig_bm315.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr889.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos800.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo889.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2783.png

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

Summary

../../_images/fig_times1314.png

(a) Computation time