mp-558192-2/NaPO3/harm

Equation of state

../../_images/fig_bm4096.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7962.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11196.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7962.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27724.png

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

Summary

../../_images/fig_times14042.png

(a) Computation time