mp-559278/K2S/harm

Harmonic properties

../../_images/fig_bandos_pr7895.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11085.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7895.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27657.png

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

Summary

../../_images/fig_times13913.png

(a) Computation time