mp-561549/K2Be2Si6O15/harm

Harmonic properties

../../_images/fig_bandos_pr7419.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10452.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7419.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27183.png

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

Summary

../../_images/fig_times13148.png

(a) Computation time