mp-759638/Y5Tm11O24/harm

Harmonic properties

../../_images/fig_bandos_pr3069.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3970.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3069.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22889.png

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

Summary

../../_images/fig_times5276.png

(a) Computation time