mp-560240/K2SbPO6/harm

Equation of state

../../_images/fig_bm4023.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7785.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10931.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7785.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27548.png

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

Summary

../../_images/fig_times13738.png

(a) Computation time