mp-556776-2/SrP2O6/harm

Equation of state

../../_images/fig_bm4230.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8289.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11663.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8289.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28051.png

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

Summary

../../_images/fig_times14574.png

(a) Computation time