mp-559610-2/Rb2NaAl2P3O12/harm

Equation of state

../../_images/fig_bm4091.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7955.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11186.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7955.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27717.png

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

Summary

../../_images/fig_times14029.png

(a) Computation time