mp-23904/BaH4O3/harm

Harmonic properties

../../_images/fig_bandos_pr12547.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo12547.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc212245.png

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

Summary

../../_images/fig_times21325.png

(a) Computation time