mp-559127/K2Zn2Si8O19/harm

Harmonic properties

../../_images/fig_bandos_pr7864.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11035.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7864.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27627.png

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

Summary

../../_images/fig_times13858.png

(a) Computation time