mp-18126/Tb3CuSnSe7/harm

Harmonic properties

../../_images/fig_bandos_pr13785.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18165.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13785.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213413.png

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

Summary

../../_images/fig_times23111.png

(a) Computation time