mp-696965/Cs3TbF6/harm

Equation of state

../../_images/fig_bm2448.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4936.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6893.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4936.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24745.png

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

Summary

../../_images/fig_times8759.png

(a) Computation time