mp-20863-2/Sb2Pt2O7/harm

Harmonic properties

../../_images/fig_bandos_pr13510.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17870.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13510.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213145.png

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

Summary

../../_images/fig_times22726.png

(a) Computation time