Projects
From William Parker Wiki
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
|
0.003
|
26
|
|
|
|
|
|
|
| Ir
|
130
|
520
|
0.003
|
27
|
|
|
|
|
|
|
| Ti
|
150
|
|
|
13
|
|
|
|
|
|
|
