mp-559456/KNdW2O8/harm

Harmonic properties

../../_images/fig_bandos_pr7928.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11137.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7928.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27690.png

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

Summary

../../_images/fig_times13976.png

(a) Computation time