mp-699558/K10Zr3CdMo12O48/harm

Harmonic properties

../../_images/fig_bandos_pr4767.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6639.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4767.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24578.png

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

Summary

../../_images/fig_times8457.png

(a) Computation time