mp-558480-2/K2P2O5F2/harm

Equation of state

../../_images/fig_bm4125.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8029.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11290.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8029.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27791.png

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

Summary

../../_images/fig_times14153.png

(a) Computation time