mp-651279/Co4SiC14O14/harm

Harmonic properties

../../_images/fig_bandos_pr5330.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7649.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5330.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25135.png

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

Summary

../../_images/fig_times9622.png

(a) Computation time