mp-561305/BaZnSiO4/harm

Harmonic properties

../../_images/fig_bandos_pr7368.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10371.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7368.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27132.png

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

Summary

../../_images/fig_times13058.png

(a) Computation time