mp-1191111/SrTiP2O8/harm

Harmonic properties

../../_images/fig_bandos_pr16054.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20470.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16053.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215649.png

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

Summary

../../_images/fig_times26414.png

(a) Computation time