mp-24029/Na2H10SO5/harm

Harmonic properties

../../_images/fig_bandos_pr12603.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16962.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12603.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212301.png

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

Summary

../../_images/fig_times21415.png

(a) Computation time