mp-6198/SrGa2Si2O8/harm

Harmonic properties

../../_images/fig_bandos_pr6307.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9166.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6307.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26097.png

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

Summary

../../_images/fig_times11423.png

(a) Computation time