mp-773864-2/TiSnO4/harm

Equation of state

../../_images/fig_bm1158.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2376.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2762.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2376.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22197.png

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

Summary

../../_images/fig_times3899.png

(a) Computation time