Fig. 6 | npj Computational Materials

Fig. 6

From: Anisotropic temperature-dependent lattice parameters and elastic constants from first principles

Fig. 6

Representation of the points where phonon spectra calculations are performed, for configurations with a 1 DOF, b 2 DOF, and c 3 DOF. The blue point denotes the center of calculations (indicated by [εBO•]), while the red points represent the deformations required for each degree of freedom \({\varepsilon }_{\gamma }^{{\rm{BO}}}\). The total number of phonon spectra calculations for 1, 2, and 3 DOF is 3, 6, and 10, respectively.

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