mp-755541/Cs3YO3/harm

Harmonic properties

../../_images/fig_bandos_pr3421.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4565.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3421.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23240.png

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

Summary

../../_images/fig_times5945.png

(a) Computation time