mp-14383/KGePO5/harm

Harmonic properties

../../_images/fig_bandos_pr14777.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19151.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14777.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214395.png

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

Summary

../../_images/fig_times24544.png

(a) Computation time