mp-9512/SrAl2P2O8F2/harm

Harmonic properties

../../_images/fig_bandos_pr1137.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1069.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1137.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21003.png

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

Summary

../../_images/fig_times1710.png

(a) Computation time