mp-9427/NaYP2O7/harm

Harmonic properties

../../_images/fig_bandos_pr1478.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1370.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1478.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21330.png

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

Summary

../../_images/fig_times2202.png

(a) Computation time