mp-696457/ScP3H6O12/harm

Harmonic properties

../../_images/fig_bandos_pr4895.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6835.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4895.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24704.png

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

Summary

../../_images/fig_times8692.png

(a) Computation time