mp-24316/CdP2H4O4/harm

Equation of state

../../_images/fig_bm6129.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12386.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16635.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12386.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212085.png

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

Summary

../../_images/fig_times21031.png

(a) Computation time