mp-556889/Ca4Al6MoO16/harm

Harmonic properties

../../_images/fig_bandos_pr8323.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11708.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8323.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28085.png

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

Summary

../../_images/fig_times14627.png

(a) Computation time