mp-642350/KLaP4O12/harm

Harmonic properties

../../_images/fig_bandos_pr5426.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7828.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5426.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25231.png

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

Summary

../../_images/fig_times9834.png

(a) Computation time