mp-16433-2/Ca2Ga2O5/harm

Equation of state

../../_images/fig_bm7212.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14434.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18792.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14434.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214054.png

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

Summary

../../_images/fig_times24043.png

(a) Computation time