mp-757156-2/SnP4O12/harm

Harmonic properties

../../_images/fig_bandos_pr3128.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4085.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3128.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22947.png

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

Summary

../../_images/fig_times5403.png

(a) Computation time