mp-680689/SrTi2O5/harm

Harmonic properties

../../_images/fig_bandos_pr5178.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7375.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5178.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24983.png

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

Summary

../../_images/fig_times9302.png

(a) Computation time