mp-24354/H7Se2NO6/harm

Equation of state

../../_images/fig_bm6136.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12395.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16649.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12395.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212094.png

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

Summary

../../_images/fig_times21047.png

(a) Computation time