Projects

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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) V0 (Å3/atom) K0 (GPa) K′
Pt 90 360
Ir 130 Set up
Ti Set up
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