mp-753378-2/TaGaO4/harm

Equation of state

../../_images/fig_bm1959.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4001.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5325.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4001.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23814.png

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

Summary

../../_images/fig_times6927.png

(a) Computation time