mp-17747/Y3CuSnS7/harm

Harmonic properties

../../_images/fig_bandos_pr14004.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18386.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14004.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213632.png

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

Summary

../../_images/fig_times23439.png

(a) Computation time