mp-684841/KMg3AlSi3O10F2/harm

Harmonic properties

../../_images/fig_bandos_pr4994.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7009.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4994.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24799.png

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

Summary

../../_images/fig_times8889.png

(a) Computation time