mp-24646/NaAlBP2H3O10/harm

Harmonic properties

../../_images/fig_bandos_pr12463.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16768.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12463.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212162.png

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

Summary

../../_images/fig_times21179.png

(a) Computation time