mp-9646-2/LaP3O9/harm

Equation of state

../../_images/fig_bm393.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1176.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1092.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1176.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21042.png

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

Summary

../../_images/fig_times1764.png

(a) Computation time