mp-24144-2/Na5ScH4C4O14/harm

Equation of state

../../_images/fig_bm6101.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12351.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16571.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12351.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212050.png

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

Summary

../../_images/fig_times20957.png

(a) Computation time