mp-558325/K2YNb5O15/harm

Harmonic properties

../../_images/fig_bandos_pr7997.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11247.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7997.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27759.png

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

Summary

../../_images/fig_times14103.png

(a) Computation time