mp-560300/Nd3CuSnS7/harm

Harmonic properties

../../_images/fig_bandos_pr7794.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10944.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7794.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27557.png

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

Summary

../../_images/fig_times13753.png

(a) Computation time