mp-557777/K2ScSi4O10F/harm

Harmonic properties

../../_images/fig_bandos_pr8180.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11507.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8180.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27942.png

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

Summary

../../_images/fig_times14400.png

(a) Computation time