mp-12427-2/Sr2TaGaO6/harm

Equation of state

../../_images/fig_bm7631.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr15623.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20029.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15622.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215218.png

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

Summary

../../_images/fig_times25793.png

(a) Computation time