mp-733844-2/Na3GaP2H2O9/harm

Equation of state

../../_images/fig_bm2022.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4079.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5479.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4079.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23892.png

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

Summary

../../_images/fig_times7093.png

(a) Computation time