Difference between revisions of "Projects"
From William Parker Wiki
(→Platinum-Iridium-Titanium) |
(→Platinum-Iridium-Titanium) |
||
| Line 46: | Line 46: | ||
| | | | ||
| | | | ||
| − | | | + | | 13 |
| | | | ||
| | | | ||
Revision as of 15:27, 16 March 2023
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 | ||||||||
