mp-995192-2/RbBaSiHO4/harm

Equation of state

../../_images/fig_bm311.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr879.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos790.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo879.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2773.png

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

Summary

../../_images/fig_times1299.png

(a) Computation time