mp-995192/RbBaSiHO4/harm

Harmonic properties

../../_images/fig_bandos_pr878.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos789.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo878.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2772.png

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

Summary

../../_images/fig_times1298.png

(a) Computation time