mp-19497/Na5YMo4O16/harm

Harmonic properties

../../_images/fig_bandos_pr13385.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17746.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13385.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213025.png

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

Summary

../../_images/fig_times22544.png

(a) Computation time