mp-22583-2/KInP2S7/harm

Harmonic properties

../../_images/fig_bandos_pr13081.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17458.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13081.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212760.png

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

Summary

../../_images/fig_times22093.png

(a) Computation time