mp-18126-2/Tb3CuSnSe7/harm

Equation of state

../../_images/fig_bm6888.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13786.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18166.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13786.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213414.png

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

Summary

../../_images/fig_times23112.png

(a) Computation time