mp-766267/Y7TmO12/harm

Harmonic properties

../../_images/fig_bandos_pr2751.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3378.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2751.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22572.png

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

Summary

../../_images/fig_times4611.png

(a) Computation time