mp-642650/LiPH2O2/harm

Harmonic properties

../../_images/fig_bandos_pr5434.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7838.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5434.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25239.png

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

Summary

../../_images/fig_times9845.png

(a) Computation time