mp-9107/NaZrCuS3/harm

Harmonic properties

../../_images/fig_bandos_pr1366.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1281.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1366.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21221.png

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

Summary

../../_images/fig_times2054.png

(a) Computation time