mp-26630/TiP2O7/harm

Equation of state

../../_images/fig_bm6016.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12234.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16392.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12234.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211933.png

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

Summary

../../_images/fig_times20750.png

(a) Computation time