mp-676483/NaLiZnP2O7/harm

Harmonic properties

../../_images/fig_bandos_pr5305.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7597.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5305.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25110.png

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

Summary

../../_images/fig_times9566.png

(a) Computation time