mp-558480/K2P2O5F2/harm

Harmonic properties

../../_images/fig_bandos_pr8028.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11289.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8028.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27790.png

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

Summary

../../_images/fig_times14152.png

(a) Computation time