mp-558273/Ca3SiO5/harm

Harmonic properties

../../_images/fig_bandos_pr7987.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11229.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7987.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27749.png

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

Summary

../../_images/fig_times14083.png

(a) Computation time