mp-556224/Sr5V3ClO12/harm

Harmonic properties

../../_images/fig_bandos_pr8477.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11903.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8477.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28239.png

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

Summary

../../_images/fig_times14871.png

(a) Computation time