mp-14485-2/LaTa7O19/harm

Equation of state

../../_images/fig_bm7417.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14820.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19190.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14820.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214438.png

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

Summary

../../_images/fig_times24597.png

(a) Computation time