mp-554515-2/KScH4C4O10/harm

Harmonic properties

../../_images/fig_bandos_pr9012.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12713.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9012.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28774.png

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

Summary

../../_images/fig_times15788.png

(a) Computation time