mp-756194/Tm4B6O15/harm

Harmonic properties

../../_images/fig_bandos_pr3259.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4321.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3259.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23078.png

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

Summary

../../_images/fig_times5652.png

(a) Computation time