mp-6227/Ca2ZnSi2O7/harm

Harmonic properties

../../_images/fig_bandos_pr6318.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9177.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6318.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26108.png

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

Summary

../../_images/fig_times11438.png

(a) Computation time