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Works cited by this work

Generalized Gradient Approximation Made Simple

Special points for Brillouin-zone integrations

XCII. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals

Linear optical properties of solids within the full-potential linearized augmented planewave method

On the stability of crystal lattices. I

Theoretical predictions of structure and related properties of intermetallics

<i>VESTA</i>: a three-dimensional visualization system for electronic and structural analysis

First-principles Green's-function method for surface calculations: A pseudopotential localized basis set approach

QuantumATK: an integrated platform of electronic and atomic-scale modelling tools

Phonons and related crystal properties from density-functional perturbation theory

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Electronic, magnetic, vibrational, and X-ray spectroscopy of inverse full-Heusler Fe<sub>2</sub>IrSi alloy

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Potential lead-free small band gap halide double perovskites Cs2CuMCl6 (M = Sb, Bi) for green technology

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