mp-557786/CaNb2P2O11/harm

Harmonic properties

../../_images/fig_bandos_pr8181.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11509.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8181.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27943.png

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

Summary

../../_images/fig_times14402.png

(a) Computation time