mp-995225-2/CsBaSiHO4/harm

Equation of state

../../_images/fig_bm318.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr896.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos810.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo896.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2790.png

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

Summary

../../_images/fig_times1324.png

(a) Computation time