mp-776261-2/Na5Sn2PC4O16/harm

Equation of state

../../_images/fig_bm1072.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2267.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2538.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2267.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22088.png

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

Summary

../../_images/fig_times3659.png

(a) Computation time