mp-774658-2/LiSnPO4/harm

Equation of state

../../_images/fig_bm1185.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2420.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2828.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2420.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22241.png

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

Summary

../../_images/fig_times3965.png

(a) Computation time