mp-975622/Rb2Al2Si3O10/harm

Harmonic properties

../../_images/fig_bandos_pr1030.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos964.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1030.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2898.png

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

Summary

../../_images/fig_times1541.png

(a) Computation time