mp-27583-2/Sr2P6O17/harm

Harmonic properties

../../_images/fig_bandos_pr12154.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16259.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12154.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211855.png

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

Summary

../../_images/fig_times20592.png

(a) Computation time