mp-558022-2/SrBPO5/harm

Equation of state

../../_images/fig_bm4212.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8245.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11596.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8245.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28007.png

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

Summary

../../_images/fig_times14500.png

(a) Computation time