mp-557516/K2Be2Zn2Si3O11/harm

Harmonic properties

../../_images/fig_bandos_pr8118.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11417.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8118.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27880.png

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

Summary

../../_images/fig_times14301.png

(a) Computation time