mp-698033/KAl2P2H8O12F/harm

Harmonic properties

../../_images/fig_bandos_pr4705.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6538.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4705.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24516.png

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

Summary

../../_images/fig_times8347.png

(a) Computation time