mp-9268/KSe/harm

Harmonic properties

../../_images/fig_bandos_pr1413.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1328.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1413.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21265.png

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

Summary

../../_images/fig_times2126.png

(a) Computation time