mp-699636/KTb2CuMo4O16/harm

Harmonic properties

../../_images/fig_bandos_pr4769.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6641.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4769.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24580.png

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

Summary

../../_images/fig_times8459.png

(a) Computation time