mp-698325/BaH4C3O6/harm

Harmonic properties

../../_images/fig_bandos_pr4724.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6570.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4724.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24535.png

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

Summary

../../_images/fig_times8385.png

(a) Computation time