mp-559053/NaYSe2O6/harm

Harmonic properties

../../_images/fig_bandos_pr7845.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11008.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7845.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27608.png

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

Summary

../../_images/fig_times13828.png

(a) Computation time