mp-625894/BaH4O6/harm

Harmonic properties

../../_images/fig_bandos_pr5954.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8726.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5954.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25750.png

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

Summary

../../_images/fig_times10866.png

(a) Computation time