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Platinum-Iridium-Titanium

Element Convergence Parameters Relaxed Lattice Parameter
a0 (Å)
E-V Equation of State Phonon Frequency Bands
ωmax (THz)
Ecut, ψ (Ry) Ecut, ρ (Ry) σ (Ry) Nk, i E0 (eV) V03/atom) K0 (GPa) K
Pt 90 360 0.003
Ir 130 520 0.003 27
Ti 150