mp-1188121/CsPH2O4/harm

Harmonic properties

../../_images/fig_bandos_pr16176.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20643.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16175.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215769.png

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

Summary

../../_images/fig_times26644.png

(a) Computation time