mp-14354/Rb2SrP2O7/harm

Harmonic properties

../../_images/fig_bandos_pr14764.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19134.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14764.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214382.png

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

Summary

../../_images/fig_times24527.png

(a) Computation time