mp-555528/Ca2ThSi8O20/harm

Harmonic properties

../../_images/fig_bandos_pr8628.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12125.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8628.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28389.png

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

Summary

../../_images/fig_times15130.png

(a) Computation time