mp-766425/Na5W7O21/harm

Harmonic properties

../../_images/fig_bandos_pr2770.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3409.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2770.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22591.png

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

Summary

../../_images/fig_times4646.png

(a) Computation time