mp-42458/SrAl3P2H7O14/harm

Harmonic properties

../../_images/fig_bandos_pr10215.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14151.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10215.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29966.png

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

Summary

../../_images/fig_times17671.png

(a) Computation time