mp-558990-2/K2SrP4O12/harm

Equation of state

../../_images/fig_bm4043.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7830.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10990.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7830.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27593.png

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

Summary

../../_images/fig_times13808.png

(a) Computation time