mp-690977/NaP3Pb4O12/harm

Harmonic properties

../../_images/fig_bandos_pr5056.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7131.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5056.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24861.png

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

Summary

../../_images/fig_times9030.png

(a) Computation time