mp-29136/Sr6Cu3N5/harm

Harmonic properties

../../_images/fig_bandos_pr11406.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15398.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11406.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211122.png

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

Summary

../../_images/fig_times19454.png

(a) Computation time