mp-669367-2/KAlS2O8/harm

Harmonic properties

../../_images/fig_bandos_pr5377.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7732.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5377.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25182.png

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

Summary

../../_images/fig_times9720.png

(a) Computation time