mp-16595/K3DySi2O7/harm

Harmonic properties

../../_images/fig_bandos_pr14452.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18807.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14452.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214072.png

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

Summary

../../_images/fig_times24065.png

(a) Computation time