mp-698494/K2BiH5C5O10/harm

Harmonic properties

../../_images/fig_bandos_pr4740.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6594.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4740.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24551.png

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

Summary

../../_images/fig_times8409.png

(a) Computation time