mp-752672/NaDyO2/harm

Harmonic properties

../../_images/fig_bandos_pr3933.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5225.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3933.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23746.png

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

Summary

../../_images/fig_times6808.png

(a) Computation time