mp-9646/LaP3O9/harm

Harmonic properties

../../_images/fig_bandos_pr1175.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1091.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1175.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21041.png

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

Summary

../../_images/fig_times1763.png

(a) Computation time