mp-774335/Sn2P2O7/harm

Harmonic properties

../../_images/fig_bandos_pr2395.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2796.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2395.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22216.png

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

Summary

../../_images/fig_times3933.png

(a) Computation time