mp-23690/CaH4SO6/harm

Harmonic properties

../../_images/fig_bandos_pr12798.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17193.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12798.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212494.png

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

Summary

../../_images/fig_times21706.png

(a) Computation time