mp-690977-2/NaP3Pb4O12/harm

Equation of state

../../_images/fig_bm2495.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5057.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7132.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5057.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24862.png

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

Summary

../../_images/fig_times9031.png

(a) Computation time