mp-510539/Dy3CuSnSe7/harm

Harmonic properties

../../_images/fig_bandos_pr9613.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13427.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9613.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29374.png

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

Summary

../../_images/fig_times16711.png

(a) Computation time