mp-707453/K5NaP3H3O12/harm

Harmonic properties

../../_images/fig_bandos_pr4257.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5915.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4257.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24070.png

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

Summary

../../_images/fig_times7548.png

(a) Computation time