mp-555982/Si2Ge3P6O25/harm

Harmonic properties

../../_images/fig_bandos_pr8725.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12266.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8725.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28486.png

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

Summary

../../_images/fig_times15287.png

(a) Computation time