mp-556185/RbNaTiO3/harm

Harmonic properties

../../_images/fig_bandos_pr8472.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11895.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8472.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28234.png

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

Summary

../../_images/fig_times14861.png

(a) Computation time