mp-27220/Tl5SbO5/harm

Equation of state

../../_images/fig_bm6063.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12293.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16494.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12293.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211992.png

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

Summary

../../_images/fig_times20862.png

(a) Computation time