mp-24610-2/LiPH2O4/harm

Equation of state

../../_images/fig_bm6178.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12454.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16754.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12454.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212153.png

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

Summary

../../_images/fig_times21165.png

(a) Computation time