mp-557940/KNdC2O6/harm

Harmonic properties

../../_images/fig_bandos_pr8225.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11566.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8225.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27987.png

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

Summary

../../_images/fig_times14468.png

(a) Computation time