mp-1197651/CsPH2O4/harm

Harmonic properties

../../_images/fig_bandos_pr15532.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19922.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15531.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215127.png

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

Summary

../../_images/fig_times25667.png

(a) Computation time