mp-768305/Sr2HfO4/harm

Harmonic properties

../../_images/fig_bandos_pr2828.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3511.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2828.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22649.png

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

Summary

../../_images/fig_times4766.png

(a) Computation time